1-(2,2-difluoroethyl)cyclopentane-1-carboxylic acid

C8H12F2O2 — CID 79425246

IUPAC1-(2,2-difluoroethyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(CC(F)F)CCCC1
InChIInChI=1S/C8H12F2O2/c9-6(10)5-8(7(11)12)3-1-2-4-8/h6H,1-5H2,(H,11,12)
InChIKeyZAVMMZBKFUMGRC-UHFFFAOYSA-N
MW178.18 g/mol
LogP2.29
Rot. Bonds3

About 1-(2,2-difluoroethyl)cyclopentane-1-carboxylic acid

1-(2,2-difluoroethyl)cyclopentane-1-carboxylic acid (PubChem CID 79425246) has the molecular formula C8H12F2O2 and a molecular weight of 178.18 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)cyclopentane-1-carboxylic acid
PubChem CID79425246
Molecular FormulaC8H12F2O2
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Name1-(2,2-difluoroethyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(CC(F)F)CCCC1
InChIInChI=1S/C8H12F2O2/c9-6(10)5-8(7(11)12)3-1-2-4-8/h6H,1-5H2,(H,11,12)
InChIKeyZAVMMZBKFUMGRC-UHFFFAOYSA-N
XLogP2.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(2,2-difluoroethyl)cyclopentane-1-carboxylic acid (CID 79425246) is 1-(2,2-difluoroethyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(2,2-difluoroethyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(2,2-difluoroethyl)cyclopentane-1-carboxylic acid is O=C(O)C1(CC(F)F)CCCC1.
What is the InChIKey of 1-(2,2-difluoroethyl)cyclopentane-1-carboxylic acid?
The InChIKey is ZAVMMZBKFUMGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O2/c9-6(10)5-8(7(11)12)3-1-2-4-8/h6H,1-5H2,(H,11,12).
What are the key properties of 1-(2,2-difluoroethyl)cyclopentane-1-carboxylic acid?
1-(2,2-difluoroethyl)cyclopentane-1-carboxylic acid has a molecular weight of 178.18 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79425246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).