2-hex-5-enyl-6-(trifluoromethyl)benzamide

C14H16F3NO — CID 173481194

IUPAC2-hex-5-enyl-6-(trifluoromethyl)benzamide
SMILESC=CCCCCc1cccc(C(F)(F)F)c1C(N)=O
InChIInChI=1S/C14H16F3NO/c1-2-3-4-5-7-10-8-6-9-11(14(15,16)17)12(10)13(18)19/h2,6,8-9H,1,3-5,7H2,(H2,18,19)
InChIKeyLBVNIEKCZCEMJA-UHFFFAOYSA-N
MW271.28 g/mol
LogP3.70
Rot. Bonds6

About 2-hex-5-enyl-6-(trifluoromethyl)benzamide

2-hex-5-enyl-6-(trifluoromethyl)benzamide (PubChem CID 173481194) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-hex-5-enyl-6-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-hex-5-enyl-6-(trifluoromethyl)benzamide
PubChem CID173481194
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name2-hex-5-enyl-6-(trifluoromethyl)benzamide
SMILESC=CCCCCc1cccc(C(F)(F)F)c1C(N)=O
InChIInChI=1S/C14H16F3NO/c1-2-3-4-5-7-10-8-6-9-11(14(15,16)17)12(10)13(18)19/h2,6,8-9H,1,3-5,7H2,(H2,18,19)
InChIKeyLBVNIEKCZCEMJA-UHFFFAOYSA-N
XLogP3.70
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hex-5-enyl-6-(trifluoromethyl)benzamide?
The IUPAC name of 2-hex-5-enyl-6-(trifluoromethyl)benzamide (CID 173481194) is 2-hex-5-enyl-6-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-hex-5-enyl-6-(trifluoromethyl)benzamide?
The canonical SMILES for 2-hex-5-enyl-6-(trifluoromethyl)benzamide is C=CCCCCc1cccc(C(F)(F)F)c1C(N)=O.
What is the InChIKey of 2-hex-5-enyl-6-(trifluoromethyl)benzamide?
The InChIKey is LBVNIEKCZCEMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO/c1-2-3-4-5-7-10-8-6-9-11(14(15,16)17)12(10)13(18)19/h2,6,8-9H,1,3-5,7H2,(H2,18,19).
What are the key properties of 2-hex-5-enyl-6-(trifluoromethyl)benzamide?
2-hex-5-enyl-6-(trifluoromethyl)benzamide has a molecular weight of 271.28 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-5-enyl-6-(trifluoromethyl)benzamide is sourced from PubChem (CID 173481194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).