1,2,2-trifluorocyclopentane-1-carboxylic acid

C6H7F3O2 — CID 68937116

IUPAC1,2,2-trifluorocyclopentane-1-carboxylic acid
SMILESO=C(O)C1(F)CCCC1(F)F
InChIInChI=1S/C6H7F3O2/c7-5(4(10)11)2-1-3-6(5,8)9/h1-3H2,(H,10,11)
InChIKeyDCNOOSYQMDMLII-UHFFFAOYSA-N
MW168.11 g/mol
LogP1.60
Rot. Bonds1

About 1,2,2-trifluorocyclopentane-1-carboxylic acid

1,2,2-trifluorocyclopentane-1-carboxylic acid (PubChem CID 68937116) has the molecular formula C6H7F3O2 and a molecular weight of 168.11 g/mol. Its IUPAC name is 1,2,2-trifluorocyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1,2,2-trifluorocyclopentane-1-carboxylic acid
PubChem CID68937116
Molecular FormulaC6H7F3O2
Molecular Weight168.11 g/mol
Exact Mass168.04
IUPAC Name1,2,2-trifluorocyclopentane-1-carboxylic acid
SMILESO=C(O)C1(F)CCCC1(F)F
InChIInChI=1S/C6H7F3O2/c7-5(4(10)11)2-1-3-6(5,8)9/h1-3H2,(H,10,11)
InChIKeyDCNOOSYQMDMLII-UHFFFAOYSA-N
XLogP1.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.11
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,2,2-trifluorocyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,2-trifluorocyclopentane-1-carboxylic acid?
The IUPAC name of 1,2,2-trifluorocyclopentane-1-carboxylic acid (CID 68937116) is 1,2,2-trifluorocyclopentane-1-carboxylic acid.
What is the SMILES notation for 1,2,2-trifluorocyclopentane-1-carboxylic acid?
The canonical SMILES for 1,2,2-trifluorocyclopentane-1-carboxylic acid is O=C(O)C1(F)CCCC1(F)F.
What is the InChIKey of 1,2,2-trifluorocyclopentane-1-carboxylic acid?
The InChIKey is DCNOOSYQMDMLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3O2/c7-5(4(10)11)2-1-3-6(5,8)9/h1-3H2,(H,10,11).
What are the key properties of 1,2,2-trifluorocyclopentane-1-carboxylic acid?
1,2,2-trifluorocyclopentane-1-carboxylic acid has a molecular weight of 168.11 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trifluorocyclopentane-1-carboxylic acid is sourced from PubChem (CID 68937116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).