4,4-Difluorocyclohexanecarboxylic acid - CAS 122665-97-8

Catalog:	BB005441
Product Name:	4,4-Difluorocyclohexanecarboxylic acid
CAS:	122665-97-8
Synonyms:	4,4-difluorocyclohexane-1-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4,4-difluorocyclohexane-1-carboxylic acid
Description:	A di-substituted cyclohexane carboxylic acids used in the synthesis of macrolide antibiotics.
Molecular Weight:	164.15
Molecular Formula:	C7H10F2O2
Canonical SMILES:	C1CC(CCC1C(=O)O)(F)F
InChI:	InChI=1S/C7H10F2O2/c8-7(9)3-1-5(2-4-7)6(10)11/h5H,1-4H2,(H,10,11)
InChI Key:	HYIUDFLDFSIXTR-UHFFFAOYSA-N
Boiling Point:	241.1 ℃ at 760 mmHg
Melting Point:	103-107 ℃
Purity:	98 %
Density:	1.24 g/cm³
Appearance:	White solid
MDL:	MFCD03788493
LogP:	1.89650

Publication Number	Title	Priority Date
WO-2021210586-A1	Condensed heterocyclic compound	20200414
WO-2021202460-A1	Broad spectrum antivirals against coronavirus	20200330
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WO-2020241277-A1	Radiation-sensitive resin composition, method for forming resist pattern and compound	20190527

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Related Functional Groups

Carbonyl Compounds

[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid

Fluorinated Building Blocks

[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[452-76-6]
2,4-Difluorotoluene
[459836-92-1]
3,6-Difluoro-2-methylbenzoic acid
[1795420-51-7]
3-Amino-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylic acid
[1328640-88-5]
5-((2,2-Difluoroethoxy)methyl)-1-methyl-3-nitro-1H-pyrazole

Other Pyrimidines

[2696462-69-6]
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
[551-62-2]
1,2,3,4-Tetrafluorobenzene
[1160246-50-3]
2-((4-(P-Tolyl)-6-(trifluoromethyl)pyrimidin-2-yl)oxy)ethanamine
[45867-11-6]
2-Amino-5-chloro-4-pyrimidinecarboxylic acid
[2252403-82-8]
7-Chloro-6-fluoro-1-(2-isopropyl-4-methylpyridin-3-yl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
[677-25-8]
Ethenesulfonyl fluoride

GHS Hazard Statement:	H315 (99.26%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	158
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	164.06488588
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	164.06488588
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6