5-[4-(trifluoromethyl)phenyl]pentanamide

C12H14F3NO — CID 162568096

IUPAC5-[4-(trifluoromethyl)phenyl]pentanamide
SMILESNC(=O)CCCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO/c13-12(14,15)10-7-5-9(6-8-10)3-1-2-4-11(16)17/h5-8H,1-4H2,(H2,16,17)
InChIKeyGZAZJFOHVVGTCD-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.90
Rot. Bonds5

About 5-[4-(trifluoromethyl)phenyl]pentanamide

5-[4-(trifluoromethyl)phenyl]pentanamide (PubChem CID 162568096) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 5-[4-(trifluoromethyl)phenyl]pentanamide.

Molecular Properties

Compound Name5-[4-(trifluoromethyl)phenyl]pentanamide
PubChem CID162568096
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name5-[4-(trifluoromethyl)phenyl]pentanamide
SMILESNC(=O)CCCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO/c13-12(14,15)10-7-5-9(6-8-10)3-1-2-4-11(16)17/h5-8H,1-4H2,(H2,16,17)
InChIKeyGZAZJFOHVVGTCD-UHFFFAOYSA-N
XLogP2.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.90
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

6-[4-(trifluoromethyl)phenyl]hexanamide
CID 66848410
18-[4-(18-amino-18-oxooctadecyl)phenyl]octadecanamide
CID 66765992
ethyl 6-[4-(trifluoromethyl)phenyl]hexanoate
CID 11737774
4-[4-(trifluoromethyl)phenyl]butanoyl chloride
CID 165349049
11-(4-fluorophenyl)undecanamide
CID 144640590
4-(4-tert-butylphenyl)butanamide
CID 20619639
trihydroxy-[6-[4-(trifluoromethyl)phenyl]hexyl]silane
CID 90170967
1-[4-(trifluoromethyl)phenyl]heptan-4-one
CID 64522928
5-[3-[4-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]pentanamide
CID 91093698
N'-[4-(trifluoromethyl)phenyl]nonanediamide
CID 91365401
4-oxo-4-[4-(trifluoromethyl)phenyl]butanamide
CID 142703913
1-tetradecyl-4-(trifluoromethyl)benzene
CID 15527477

Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethyl)phenyl]pentanamide?
The IUPAC name of 5-[4-(trifluoromethyl)phenyl]pentanamide (CID 162568096) is 5-[4-(trifluoromethyl)phenyl]pentanamide.
What is the SMILES notation for 5-[4-(trifluoromethyl)phenyl]pentanamide?
The canonical SMILES for 5-[4-(trifluoromethyl)phenyl]pentanamide is NC(=O)CCCCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-[4-(trifluoromethyl)phenyl]pentanamide?
The InChIKey is GZAZJFOHVVGTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c13-12(14,15)10-7-5-9(6-8-10)3-1-2-4-11(16)17/h5-8H,1-4H2,(H2,16,17).
What are the key properties of 5-[4-(trifluoromethyl)phenyl]pentanamide?
5-[4-(trifluoromethyl)phenyl]pentanamide has a molecular weight of 245.24 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethyl)phenyl]pentanamide is sourced from PubChem (CID 162568096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).