6-[4-(trifluoromethyl)phenyl]hexanamide

C13H16F3NO — CID 66848410

IUPAC6-[4-(trifluoromethyl)phenyl]hexanamide
SMILESNC(=O)CCCCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)11-8-6-10(7-9-11)4-2-1-3-5-12(17)18/h6-9H,1-5H2,(H2,17,18)
InChIKeyFIMWDPCINWNPPM-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.29
Rot. Bonds6

About 6-[4-(trifluoromethyl)phenyl]hexanamide

6-[4-(trifluoromethyl)phenyl]hexanamide (PubChem CID 66848410) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 6-[4-(trifluoromethyl)phenyl]hexanamide.

Molecular Properties

Compound Name6-[4-(trifluoromethyl)phenyl]hexanamide
PubChem CID66848410
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name6-[4-(trifluoromethyl)phenyl]hexanamide
SMILESNC(=O)CCCCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)11-8-6-10(7-9-11)4-2-1-3-5-12(17)18/h6-9H,1-5H2,(H2,17,18)
InChIKeyFIMWDPCINWNPPM-UHFFFAOYSA-N
XLogP3.29
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(trifluoromethyl)phenyl]pentanamide
CID 162568096
18-[4-(18-amino-18-oxooctadecyl)phenyl]octadecanamide
CID 66765992
ethyl 6-[4-(trifluoromethyl)phenyl]hexanoate
CID 11737774
11-(4-fluorophenyl)undecanamide
CID 144640590
4-[4-(trifluoromethyl)phenyl]butanoyl chloride
CID 165349049
trihydroxy-[6-[4-(trifluoromethyl)phenyl]hexyl]silane
CID 90170967
4-(4-tert-butylphenyl)butanamide
CID 20619639
N'-[4-(trifluoromethyl)phenyl]nonanediamide
CID 91365401
1-tetradecyl-4-(trifluoromethyl)benzene
CID 15527477
1-[4-(trifluoromethyl)phenyl]heptan-4-one
CID 64522928
8-(4-sulfamoylphenyl)octanamide
CID 67422603
5-[3-[4-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]pentanamide
CID 91093698

Frequently Asked Questions

What is the IUPAC name of 6-[4-(trifluoromethyl)phenyl]hexanamide?
The IUPAC name of 6-[4-(trifluoromethyl)phenyl]hexanamide (CID 66848410) is 6-[4-(trifluoromethyl)phenyl]hexanamide.
What is the SMILES notation for 6-[4-(trifluoromethyl)phenyl]hexanamide?
The canonical SMILES for 6-[4-(trifluoromethyl)phenyl]hexanamide is NC(=O)CCCCCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 6-[4-(trifluoromethyl)phenyl]hexanamide?
The InChIKey is FIMWDPCINWNPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c14-13(15,16)11-8-6-10(7-9-11)4-2-1-3-5-12(17)18/h6-9H,1-5H2,(H2,17,18).
What are the key properties of 6-[4-(trifluoromethyl)phenyl]hexanamide?
6-[4-(trifluoromethyl)phenyl]hexanamide has a molecular weight of 259.27 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(trifluoromethyl)phenyl]hexanamide is sourced from PubChem (CID 66848410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).