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

C6H8F2O2 — CID 79426270

IUPAC1-(2,2-difluoroethyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(CC(F)F)CC1
InChIInChI=1S/C6H8F2O2/c7-4(8)3-6(1-2-6)5(9)10/h4H,1-3H2,(H,9,10)
InChIKeyXZBUNPKGLRROGL-UHFFFAOYSA-N
MW150.12 g/mol
LogP1.51
Rot. Bonds3

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

1-(2,2-difluoroethyl)cyclopropane-1-carboxylic acid (PubChem CID 79426270) has the molecular formula C6H8F2O2 and a molecular weight of 150.12 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)cyclopropane-1-carboxylic acid
PubChem CID79426270
Molecular FormulaC6H8F2O2
Molecular Weight150.12 g/mol
Exact Mass150.05
IUPAC Name1-(2,2-difluoroethyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(CC(F)F)CC1
InChIInChI=1S/C6H8F2O2/c7-4(8)3-6(1-2-6)5(9)10/h4H,1-3H2,(H,9,10)
InChIKeyXZBUNPKGLRROGL-UHFFFAOYSA-N
XLogP1.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.12
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2,2-difluoroethyl)cyclopropane-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-difluoroethyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2,2-difluoroethyl)cyclopropane-1-carboxylic acid (CID 79426270) is 1-(2,2-difluoroethyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2,2-difluoroethyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2,2-difluoroethyl)cyclopropane-1-carboxylic acid is O=C(O)C1(CC(F)F)CC1.
What is the InChIKey of 1-(2,2-difluoroethyl)cyclopropane-1-carboxylic acid?
The InChIKey is XZBUNPKGLRROGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O2/c7-4(8)3-6(1-2-6)5(9)10/h4H,1-3H2,(H,9,10).
What are the key properties of 1-(2,2-difluoroethyl)cyclopropane-1-carboxylic acid?
1-(2,2-difluoroethyl)cyclopropane-1-carboxylic acid has a molecular weight of 150.12 g/mol, XLogP of 1.51, 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)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 79426270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).