1-(4,4-difluorobut-3-en-2-yl)cyclopentane-1-carboxylic acid

C10H14F2O2 — CID 22660225

IUPAC1-(4,4-difluorobut-3-en-2-yl)cyclopentane-1-carboxylic acid
SMILESCC(C=C(F)F)C1(C(=O)O)CCCC1
InChIInChI=1S/C10H14F2O2/c1-7(6-8(11)12)10(9(13)14)4-2-3-5-10/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyHSQNMUPMOJIYHP-UHFFFAOYSA-N
MW204.22 g/mol
LogP3.05
Rot. Bonds3

About 1-(4,4-difluorobut-3-en-2-yl)cyclopentane-1-carboxylic acid

1-(4,4-difluorobut-3-en-2-yl)cyclopentane-1-carboxylic acid (PubChem CID 22660225) has the molecular formula C10H14F2O2 and a molecular weight of 204.22 g/mol. Its IUPAC name is 1-(4,4-difluorobut-3-en-2-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4,4-difluorobut-3-en-2-yl)cyclopentane-1-carboxylic acid
PubChem CID22660225
Molecular FormulaC10H14F2O2
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Name1-(4,4-difluorobut-3-en-2-yl)cyclopentane-1-carboxylic acid
SMILESCC(C=C(F)F)C1(C(=O)O)CCCC1
InChIInChI=1S/C10H14F2O2/c1-7(6-8(11)12)10(9(13)14)4-2-3-5-10/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyHSQNMUPMOJIYHP-UHFFFAOYSA-N
XLogP3.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4,4-difluorobut-3-en-2-yl)cyclopentane-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

Related Compounds

3-but-3-en-2-ylpiperidine-3-carboxylic acid
CID 88977970
1-(5-methylhexan-2-yl)cycloheptane-1-carboxylic acid
CID 56985098
1-[(1S)-1-hydroxyethyl]cyclopropane-1-carboxylic acid
CID 129375020
ethyl 4,4-difluoro-2-(1-hydroxycyclopentyl)but-3-enoate
CID 11107253
1-[1-(cyclopentylamino)ethyl]cyclopentane-1-carboxylic acid
CID 91470883
1-[fluoro(phenyl)methyl]cyclopentane-1-carboxylic acid
CID 105479066
1-[1-amino-2-[1-(2-methylpropanoyloxy)ethoxy]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 67294321
3-(1-hydroxypropan-2-yl)oxane-3-carboxylic acid
CID 130502968
1-(1-cyclohexyl-2,2-dimethylpropyl)cyclohexane-1-carboxylic acid
CID 175103319
1-[(1R)-2-amino-1-(4-propan-2-ylphenyl)ethyl]cyclopentane-1-carboxylic acid
CID 125453369
2-methylpropanoic acid;1-propan-2-ylcyclohexan-1-ol
CID 174748653
4-methyl-1-propan-2-ylcyclohexane-1-carboxylic acid
CID 79425643

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorobut-3-en-2-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(4,4-difluorobut-3-en-2-yl)cyclopentane-1-carboxylic acid (CID 22660225) is 1-(4,4-difluorobut-3-en-2-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(4,4-difluorobut-3-en-2-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(4,4-difluorobut-3-en-2-yl)cyclopentane-1-carboxylic acid is CC(C=C(F)F)C1(C(=O)O)CCCC1.
What is the InChIKey of 1-(4,4-difluorobut-3-en-2-yl)cyclopentane-1-carboxylic acid?
The InChIKey is HSQNMUPMOJIYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2O2/c1-7(6-8(11)12)10(9(13)14)4-2-3-5-10/h6-7H,2-5H2,1H3,(H,13,14).
What are the key properties of 1-(4,4-difluorobut-3-en-2-yl)cyclopentane-1-carboxylic acid?
1-(4,4-difluorobut-3-en-2-yl)cyclopentane-1-carboxylic acid has a molecular weight of 204.22 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorobut-3-en-2-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 22660225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).