3-cyclohexyl-2,3-difluoroprop-2-enoic acid

C9H12F2O2 — CID 150577964

IUPAC3-cyclohexyl-2,3-difluoroprop-2-enoic acid
SMILESO=C(O)C(F)=C(F)C1CCCCC1
InChIInChI=1S/C9H12F2O2/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h6H,1-5H2,(H,12,13)
InChIKeyINFKNBOSRJMAEW-UHFFFAOYSA-N
MW190.19 g/mol
LogP2.80
Rot. Bonds2

About 3-cyclohexyl-2,3-difluoroprop-2-enoic acid

3-cyclohexyl-2,3-difluoroprop-2-enoic acid (PubChem CID 150577964) has the molecular formula C9H12F2O2 and a molecular weight of 190.19 g/mol. Its IUPAC name is 3-cyclohexyl-2,3-difluoroprop-2-enoic acid.

Molecular Properties

Compound Name3-cyclohexyl-2,3-difluoroprop-2-enoic acid
PubChem CID150577964
Molecular FormulaC9H12F2O2
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Name3-cyclohexyl-2,3-difluoroprop-2-enoic acid
SMILESO=C(O)C(F)=C(F)C1CCCCC1
InChIInChI=1S/C9H12F2O2/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h6H,1-5H2,(H,12,13)
InChIKeyINFKNBOSRJMAEW-UHFFFAOYSA-N
XLogP2.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-cyclohexyl-2,3-difluoroprop-2-enoic 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

2-Cyclohexylidene-2-fluoroacetic acid
CID 13447948
2-((1E)-3-(trifluoromethyl)cyclohexylidene)acetic acid
CID 132365152
(E)-3-cyclohexyl-2-fluoroprop-2-enoic acid
CID 99880167
(2Z)-2-(3,3-dimethylcyclohexylidene)-2-fluoroacetic acid
CID 133631345
3-Cyclohexyl-2-fluoroprop-2-enoic acid
CID 11423845
2-[4-(Trifluoromethyl)cyclohexylidene]acetic acid
CID 64755872
3-Cyclohexyl-3-fluoro-2-methylprop-2-enoic acid
CID 66726039
3-Fluoro-3-(1-fluorocyclohexyl)-2-(trifluoromethyl)prop-2-enoic acid
CID 67900505
3-Cyclohexyl-4,4,4-trifluoro-2-methylbut-2-enoic acid
CID 68982110
(E)-3-cyclohexyl-4,4,4-trifluorobut-2-enoic acid
CID 70052339
3-Cyclohexyl-4,4,4-trifluorobut-2-enoic acid
CID 70052340
3-(4,4-Difluorocyclohexyl)prop-2-enoic acid
CID 122552697

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2,3-difluoroprop-2-enoic acid?
The IUPAC name of 3-cyclohexyl-2,3-difluoroprop-2-enoic acid (CID 150577964) is 3-cyclohexyl-2,3-difluoroprop-2-enoic acid.
What is the SMILES notation for 3-cyclohexyl-2,3-difluoroprop-2-enoic acid?
The canonical SMILES for 3-cyclohexyl-2,3-difluoroprop-2-enoic acid is O=C(O)C(F)=C(F)C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-2,3-difluoroprop-2-enoic acid?
The InChIKey is INFKNBOSRJMAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2O2/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h6H,1-5H2,(H,12,13).
What are the key properties of 3-cyclohexyl-2,3-difluoroprop-2-enoic acid?
3-cyclohexyl-2,3-difluoroprop-2-enoic acid has a molecular weight of 190.19 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2,3-difluoroprop-2-enoic acid is sourced from PubChem (CID 150577964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).