2-(1,2,2-trifluoroethyl)cyclohexane-1-carboxylic acid

C9H13F3O2 — CID 175486496

IUPAC2-(1,2,2-trifluoroethyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(F)C(F)F
InChIInChI=1S/C9H13F3O2/c10-7(8(11)12)5-3-1-2-4-6(5)9(13)14/h5-8H,1-4H2,(H,13,14)
InChIKeyYHCNSSGPIREWAA-UHFFFAOYSA-N
MW210.19 g/mol
LogP2.48
Rot. Bonds3

About 2-(1,2,2-trifluoroethyl)cyclohexane-1-carboxylic acid

2-(1,2,2-trifluoroethyl)cyclohexane-1-carboxylic acid (PubChem CID 175486496) has the molecular formula C9H13F3O2 and a molecular weight of 210.19 g/mol. Its IUPAC name is 2-(1,2,2-trifluoroethyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1,2,2-trifluoroethyl)cyclohexane-1-carboxylic acid
PubChem CID175486496
Molecular FormulaC9H13F3O2
Molecular Weight210.19 g/mol
Exact Mass210.09
IUPAC Name2-(1,2,2-trifluoroethyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(F)C(F)F
InChIInChI=1S/C9H13F3O2/c10-7(8(11)12)5-3-1-2-4-6(5)9(13)14/h5-8H,1-4H2,(H,13,14)
InChIKeyYHCNSSGPIREWAA-UHFFFAOYSA-N
XLogP2.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(1,2,2-trifluoroethyl)cyclohexane-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

trans-(1R,2R)-cyclohexane-1,2-dicarboxylic acid;hydrochloride
CID 70535628
calcium;cis-(1S,2R)-cyclohexane-1,2-dicarboxylic acid;hydride;hydrate
CID 175099769
acetic acid;cyclohexane-1,2-dicarboxylic acid
CID 66603349
2-(difluoromethyl)cyclobutane-1-carboxylic acid
CID 71756472
2-(3-methylbutan-2-yl)cyclopentane-1-carboxylic acid
CID 126999237
cis-(1R,2S)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 724026
2-(2,2-difluoroethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103979066
trans-(1S,2R)-2-iodocyclohexane-1-carboxylic acid
CID 101414084
2-[1-(2-carboxycyclohexyl)ethenyl]cyclohexane-1-carboxylic acid
CID 177009051
(1S)-2-acetylcyclohexane-1-carboxylic acid
CID 126517131
(2R)-cyclobutane-1,2-dicarboxylic acid
CID 135193426
trans-(1R,2R)-2-(1-hydroxyprop-2-enyl)cyclopentane-1-carboxylic acid
CID 54436723

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,2-trifluoroethyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(1,2,2-trifluoroethyl)cyclohexane-1-carboxylic acid (CID 175486496) is 2-(1,2,2-trifluoroethyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(1,2,2-trifluoroethyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(1,2,2-trifluoroethyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1C(F)C(F)F.
What is the InChIKey of 2-(1,2,2-trifluoroethyl)cyclohexane-1-carboxylic acid?
The InChIKey is YHCNSSGPIREWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3O2/c10-7(8(11)12)5-3-1-2-4-6(5)9(13)14/h5-8H,1-4H2,(H,13,14).
What are the key properties of 2-(1,2,2-trifluoroethyl)cyclohexane-1-carboxylic acid?
2-(1,2,2-trifluoroethyl)cyclohexane-1-carboxylic acid has a molecular weight of 210.19 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,2-trifluoroethyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 175486496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).