4,4-difluorocyclohexane-1-carboxylic acid

4,4-difluorocyclohexane-1-carboxylic acid

CAS: 122665-97-8

Formula: C7H10F2O2

SMILES: OC(=O)C1CCC(F)(F)CC1

IUPAC: 4,4-difluorocyclohexane-1-carboxylic acid

InChI: InChI=1S/C7H10F2O2/c8-7(9)3-1-5(2-4-7)6(10)11/h5H,1-4H2,(H,10,11)

Composition: C (51.22%), H (6.14%), F (23.15%), O (19.49%)

Molar Mass: 164.152

Atom Count: 21

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	164.064885888
Formal Charge	0
FSP3	0.86
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	HYIUDFLDFSIXTR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	34.44
Topological Polar Surface Area	37.3
Polarizability	13.12
Ring Count	1
Rotatable Bond Count	1

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