4-(cyclohexylamino)-2-(trifluoromethyl)benzoic acid

C14H16F3NO2 — CID 62711963

IUPAC4-(cyclohexylamino)-2-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1ccc(NC2CCCCC2)cc1C(F)(F)F
InChIInChI=1S/C14H16F3NO2/c15-14(16,17)12-8-10(6-7-11(12)13(19)20)18-9-4-2-1-3-5-9/h6-9,18H,1-5H2,(H,19,20)
InChIKeyVIRDFNLGSHBQAE-UHFFFAOYSA-N
MW287.28 g/mol
LogP4.15
Rot. Bonds3

About 4-(cyclohexylamino)-2-(trifluoromethyl)benzoic acid

4-(cyclohexylamino)-2-(trifluoromethyl)benzoic acid (PubChem CID 62711963) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is 4-(cyclohexylamino)-2-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name4-(cyclohexylamino)-2-(trifluoromethyl)benzoic acid
PubChem CID62711963
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name4-(cyclohexylamino)-2-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1ccc(NC2CCCCC2)cc1C(F)(F)F
InChIInChI=1S/C14H16F3NO2/c15-14(16,17)12-8-10(6-7-11(12)13(19)20)18-9-4-2-1-3-5-9/h6-9,18H,1-5H2,(H,19,20)
InChIKeyVIRDFNLGSHBQAE-UHFFFAOYSA-N
XLogP4.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(cyclohexylmethylamino)-2-(trifluoromethyl)benzoic acid
CID 62709782
2-chloro-5-(cyclohexylamino)benzoic acid
CID 43736277
2-amino-5-(cyclooctylamino)benzoic acid
CID 60989029
N-[4-methyl-3-(trifluoromethyl)phenyl]cyclooctanamine
CID 63455762
N-[4-fluoro-3-(trifluoromethyl)phenyl]cycloheptanamine
CID 63453853
5-(cyclohexylamino)-2-methylbenzoic acid
CID 82932718
4-(cycloheptylamino)-2-methoxybenzoic acid
CID 107209609
4-[(2,2,3,3-tetramethylcyclopropyl)amino]-2-(trifluoromethyl)benzoic acid
CID 79361520
4-[(2-methyloxolan-3-yl)amino]-2-(trifluoromethyl)benzoic acid
CID 82737217
4-(cyclohexylamino)-2-pentylbenzoic acid
CID 175412341
1-[4-(cyclohexylamino)-2-methylphenyl]ethanone
CID 20716281
4-(azetidin-3-ylamino)-2-(trifluoromethyl)benzamide
CID 66187502

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)-2-(trifluoromethyl)benzoic acid?
The IUPAC name of 4-(cyclohexylamino)-2-(trifluoromethyl)benzoic acid (CID 62711963) is 4-(cyclohexylamino)-2-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 4-(cyclohexylamino)-2-(trifluoromethyl)benzoic acid?
The canonical SMILES for 4-(cyclohexylamino)-2-(trifluoromethyl)benzoic acid is O=C(O)c1ccc(NC2CCCCC2)cc1C(F)(F)F.
What is the InChIKey of 4-(cyclohexylamino)-2-(trifluoromethyl)benzoic acid?
The InChIKey is VIRDFNLGSHBQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c15-14(16,17)12-8-10(6-7-11(12)13(19)20)18-9-4-2-1-3-5-9/h6-9,18H,1-5H2,(H,19,20).
What are the key properties of 4-(cyclohexylamino)-2-(trifluoromethyl)benzoic acid?
4-(cyclohexylamino)-2-(trifluoromethyl)benzoic acid has a molecular weight of 287.28 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-2-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 62711963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).