N-(1-cyclohexylnon-2-enyl)-2,2,2-trifluoroacetamide

C17H28F3NO — CID 73122067

IUPACN-(1-cyclohexylnon-2-enyl)-2,2,2-trifluoroacetamide
SMILESCCCCCCC=CC(NC(=O)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C17H28F3NO/c1-2-3-4-5-6-10-13-15(14-11-8-7-9-12-14)21-16(22)17(18,19)20/h10,13-15H,2-9,11-12H2,1H3,(H,21,22)
InChIKeySSGXICUYACVZAB-UHFFFAOYSA-N
MW319.41 g/mol
LogP5.14
Rot. Bonds8

About N-(1-cyclohexylnon-2-enyl)-2,2,2-trifluoroacetamide

N-(1-cyclohexylnon-2-enyl)-2,2,2-trifluoroacetamide (PubChem CID 73122067) has the molecular formula C17H28F3NO and a molecular weight of 319.41 g/mol. Its IUPAC name is N-(1-cyclohexylnon-2-enyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(1-cyclohexylnon-2-enyl)-2,2,2-trifluoroacetamide
PubChem CID73122067
Molecular FormulaC17H28F3NO
Molecular Weight319.41 g/mol
Exact Mass319.21
IUPAC NameN-(1-cyclohexylnon-2-enyl)-2,2,2-trifluoroacetamide
SMILESCCCCCCC=CC(NC(=O)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C17H28F3NO/c1-2-3-4-5-6-10-13-15(14-11-8-7-9-12-14)21-16(22)17(18,19)20/h10,13-15H,2-9,11-12H2,1H3,(H,21,22)
InChIKeySSGXICUYACVZAB-UHFFFAOYSA-N
XLogP5.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.41
LogP ≤ 55.14
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 N-(1-cyclohexylnon-2-enyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(1-cyclohexylnon-2-enyl)-2,2,2-trifluoroacetamide (CID 73122067) is N-(1-cyclohexylnon-2-enyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(1-cyclohexylnon-2-enyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(1-cyclohexylnon-2-enyl)-2,2,2-trifluoroacetamide is CCCCCCC=CC(NC(=O)C(F)(F)F)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylnon-2-enyl)-2,2,2-trifluoroacetamide?
The InChIKey is SSGXICUYACVZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28F3NO/c1-2-3-4-5-6-10-13-15(14-11-8-7-9-12-14)21-16(22)17(18,19)20/h10,13-15H,2-9,11-12H2,1H3,(H,21,22).
What are the key properties of N-(1-cyclohexylnon-2-enyl)-2,2,2-trifluoroacetamide?
N-(1-cyclohexylnon-2-enyl)-2,2,2-trifluoroacetamide has a molecular weight of 319.41 g/mol, XLogP of 5.14, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylnon-2-enyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 73122067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).