2-[4-(trifluoromethyl)benzoyl]cyclohexane-1-carboxylic acid

C15H15F3O3 — CID 69189577

IUPAC2-[4-(trifluoromethyl)benzoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H15F3O3/c16-15(17,18)10-7-5-9(6-8-10)13(19)11-3-1-2-4-12(11)14(20)21/h5-8,11-12H,1-4H2,(H,20,21)
InChIKeyVWBZXRKFNOBABC-UHFFFAOYSA-N
MW300.28 g/mol
LogP3.78
Rot. Bonds3

About 2-[4-(trifluoromethyl)benzoyl]cyclohexane-1-carboxylic acid

2-[4-(trifluoromethyl)benzoyl]cyclohexane-1-carboxylic acid (PubChem CID 69189577) has the molecular formula C15H15F3O3 and a molecular weight of 300.28 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)benzoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)benzoyl]cyclohexane-1-carboxylic acid
PubChem CID69189577
Molecular FormulaC15H15F3O3
Molecular Weight300.28 g/mol
Exact Mass300.10
IUPAC Name2-[4-(trifluoromethyl)benzoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H15F3O3/c16-15(17,18)10-7-5-9(6-8-10)13(19)11-3-1-2-4-12(11)14(20)21/h5-8,11-12H,1-4H2,(H,20,21)
InChIKeyVWBZXRKFNOBABC-UHFFFAOYSA-N
XLogP3.78
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2S)-2-(4-fluorobenzoyl)cyclohexane-1-carboxylic acid
CID 2725092
2-(4-chlorobenzoyl)cyclopentane-1-carboxylic acid
CID 53411598
trans-(1R,2R)-2-(4-ethylbenzoyl)cyclohexane-1-carboxylic acid
CID 24722438
2-[4-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
CID 81007862
trans-(1S,2S)-2-(4-methoxybenzoyl)cyclohexane-1-carboxylic acid
CID 36688340
2-(4-phenoxybenzoyl)cyclohexane-1-carboxylic acid
CID 78068369
methyl 2-[4-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzoyl]cyclohexane-1-carboxylate
CID 69233714
2-[4-(4-chlorophenyl)benzoyl]cyclopentane-1-carboxylic acid
CID 54395284
2-[4-[4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzoyl]cyclohexane-1-carboxylic acid
CID 69231992
2-(3,4,5-trifluorobenzoyl)cyclohexane-1-carboxylic acid
CID 146004587
cyclopentyl 4-(trifluoromethyl)benzoate
CID 599230
(4-fluorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanone
CID 105078684

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)benzoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[4-(trifluoromethyl)benzoyl]cyclohexane-1-carboxylic acid (CID 69189577) is 2-[4-(trifluoromethyl)benzoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[4-(trifluoromethyl)benzoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[4-(trifluoromethyl)benzoyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1C(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[4-(trifluoromethyl)benzoyl]cyclohexane-1-carboxylic acid?
The InChIKey is VWBZXRKFNOBABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3O3/c16-15(17,18)10-7-5-9(6-8-10)13(19)11-3-1-2-4-12(11)14(20)21/h5-8,11-12H,1-4H2,(H,20,21).
What are the key properties of 2-[4-(trifluoromethyl)benzoyl]cyclohexane-1-carboxylic acid?
2-[4-(trifluoromethyl)benzoyl]cyclohexane-1-carboxylic acid has a molecular weight of 300.28 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)benzoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 69189577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).