3-[3-(trifluoromethyl)phenyl]hexanamide

C13H16F3NO — CID 112509132

IUPAC3-[3-(trifluoromethyl)phenyl]hexanamide
SMILESCCCC(CC(N)=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H16F3NO/c1-2-4-9(8-12(17)18)10-5-3-6-11(7-10)13(14,15)16/h3,5-7,9H,2,4,8H2,1H3,(H2,17,18)
InChIKeyYLTRBRLMCGYSMT-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.46
Rot. Bonds5

About 3-[3-(trifluoromethyl)phenyl]hexanamide

3-[3-(trifluoromethyl)phenyl]hexanamide (PubChem CID 112509132) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)phenyl]hexanamide.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)phenyl]hexanamide
PubChem CID112509132
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name3-[3-(trifluoromethyl)phenyl]hexanamide
SMILESCCCC(CC(N)=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H16F3NO/c1-2-4-9(8-12(17)18)10-5-3-6-11(7-10)13(14,15)16/h3,5-7,9H,2,4,8H2,1H3,(H2,17,18)
InChIKeyYLTRBRLMCGYSMT-UHFFFAOYSA-N
XLogP3.46
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-[3-(trifluoromethyl)phenyl]hexanamide 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-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]butylamino]ethyl]sulfanylacetamide
CID 56823666
2-propyl-1-[3-(trifluoromethyl)phenyl]pentan-1-ol
CID 115792392
1-heptan-3-yl-3-(trifluoromethyl)benzene
CID 132500569
ethyl 2-bromo-2-[3-(trifluoromethyl)phenyl]acetate
CID 12717579
(2R)-2-methyl-N-[(1S)-2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]butanediamide
CID 124849209
(2S)-2-amino-N-[1-[3-(trifluoromethyl)phenyl]butyl]propanamide;hydrochloride
CID 119315290
2-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 20546638
3-(diethylamino)-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 64527201
ethyl 2-hydroxy-3-[3-(trifluoromethyl)phenyl]butanoate
CID 66290861
(1S)-1-[3-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride
CID 171226375
4-amino-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]butyl]butanamide
CID 120591390
3-amino-2-[3-(trifluoromethyl)phenyl]pentanoic acid
CID 57455752

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)phenyl]hexanamide?
The IUPAC name of 3-[3-(trifluoromethyl)phenyl]hexanamide (CID 112509132) is 3-[3-(trifluoromethyl)phenyl]hexanamide.
What is the SMILES notation for 3-[3-(trifluoromethyl)phenyl]hexanamide?
The canonical SMILES for 3-[3-(trifluoromethyl)phenyl]hexanamide is CCCC(CC(N)=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[3-(trifluoromethyl)phenyl]hexanamide?
The InChIKey is YLTRBRLMCGYSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-2-4-9(8-12(17)18)10-5-3-6-11(7-10)13(14,15)16/h3,5-7,9H,2,4,8H2,1H3,(H2,17,18).
What are the key properties of 3-[3-(trifluoromethyl)phenyl]hexanamide?
3-[3-(trifluoromethyl)phenyl]hexanamide has a molecular weight of 259.27 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)phenyl]hexanamide is sourced from PubChem (CID 112509132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).