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1-(Trifluoromethyl)cyclopentane-1-carboxylic acid

1-(Trifluoromethyl)cyclopentane-1-carboxylic acid - CAS 277756-44-2

Catalog:	BB019667
Product Name:	1-(Trifluoromethyl)cyclopentane-1-carboxylic acid
CAS:	277756-44-2
Synonyms:	1-(trifluoromethyl)cyclopentane-1-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-(trifluoromethyl)cyclopentane-1-carboxylic acid
Description:	1-(Trifluoromethyl)cyclopentane-1-carboxylic acid (CAS# 277756-44-2) is a useful research chemical.
Molecular Weight:	182.14
Molecular Formula:	C7H9F3O2
Canonical SMILES:	C1CCC(C1)(C(=O)O)C(F)(F)F
InChI:	InChI=1S/C7H9F3O2/c8-7(9,10)6(5(11)12)3-1-2-4-6/h1-4H2,(H,11,12)
InChI Key:	DGQRYPPBAJNZFZ-UHFFFAOYSA-N
Boiling Point:	205.5 °C at 760 mmHg
Density:	1.375 g/cm³
Appearance:	White crystalline powder
MDL:	MFCD08445821
LogP:	2.19370

Publication Number	Title	Priority Date
CN-111162313-A	Polymer electrolyte and lithium ion battery	20191223
WO-2021066088-A1	Novel triazine derivative	20191002
WO-2020103859-A1	RIP1 Inhibitors	20181120
CN-113272272-A	RIP1 inhibitors	20181120
EP-3883918-A1	Rip1 inhibitors	20181120

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[17746-05-3]
Undecanoyl chloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

Cyclopentane

[911060-82-7]
1-(Hydroxymethyl)cyclopentane-1-carbonitrile
[1018127-74-6]
6-Chloro-2-cyclopentyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine
[6261-30-9]
Cyclopentanol, 2-cyclopentylidene-
[1011371-14-4]
3-(3-(Trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl)propanenitrile
[491578-02-0]
(3aS,4R,6aR)-6-[(benzyloxy)methyl]-5-fluoro-2,2-dimethyl-2H,3aH,4H,6aH-cyclopenta[d][1,3]dioxol-4-ol
[1245807-09-3]
1-Cyclopentyl-1H-pyrazole-5-sulfonyl chloride

GHS Hazard Statement:	H301 (90.91%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P310, P321, P330, P405, and P501
Signal Word:	Danger

Complexity:	191
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	182.05546401
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	182.05546401
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3