Ethyl 2-(4,4-Difluorocyclohexyl)acetate - CAS 915213-54-6

Name: Ethyl 2-(4,4-Difluorocyclohexyl)acetate
Brand: BOC Sciences
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Catalog:	BB040229
Product Name:	Ethyl 2-(4,4-Difluorocyclohexyl)acetate
CAS:	915213-54-6
Synonyms:	2-(4,4-difluorocyclohexyl)acetic acid ethyl ester; ethyl 2-(4,4-difluorocyclohexyl)acetate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 2-(4,4-difluorocyclohexyl)acetate
Description:	Ethyl 2-(4,4-Difluorocyclohexyl)acetate (CAS# 915213-54-6) is a useful research chemical.
Molecular Weight:	206.23
Molecular Formula:	C10H16F2O2
Canonical SMILES:	CCOC(=O)CC1CCC(CC1)(F)F
InChI:	InChI=1S/C10H16F2O2/c1-2-14-9(13)7-8-3-5-10(11,12)6-4-8/h8H,2-7H2,1H3
InChI Key:	GZWGGXBBJGJHBC-UHFFFAOYSA-N
Boiling Point:	222.9±10.0 °C (760 mmHg)
Density:	1.08±0.1 g/cm³ (20 °C. 760 mmH g)
LogP:	2.76510

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Related Functional Groups

Carbonyl Compounds

[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1431966-64-1]C10H17ClN2O2S
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[91552-11-3]C10H9ClO2
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

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Publication Number	Title	Priority Date
JP-2018076368-A	Combination of hepatitis C virus inhibitors	20180111
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JP-6494624-B2	Substituted 4,5,6,7-tetrahydropyrazolo [1,5-A] pyrazine derivatives as casein kinase 1D / E inhibitors	20131114
TW-201605859-A	Novel substituted pyrazolo-piperidin as a casein kinase 1Î´/Îµ inhibitor	20131114

Complexity:	194
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	206.11183607
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	206.11183607
Rotatable Bond Count:	4
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5