N-cyclohexyl-N-(trifluoromethyl)octanamide

C15H26F3NO — CID 44550874

IUPACN-cyclohexyl-N-(trifluoromethyl)octanamide
SMILESCCCCCCCC(=O)N(C1CCCCC1)C(F)(F)F
InChIInChI=1S/C15H26F3NO/c1-2-3-4-5-9-12-14(20)19(15(16,17)18)13-10-7-6-8-11-13/h13H,2-12H2,1H3
InChIKeyGYCXPAAUBLCFRZ-UHFFFAOYSA-N
MW293.37 g/mol
LogP5.03
Rot. Bonds7

About N-cyclohexyl-N-(trifluoromethyl)octanamide

N-cyclohexyl-N-(trifluoromethyl)octanamide (PubChem CID 44550874) has the molecular formula C15H26F3NO and a molecular weight of 293.37 g/mol. Its IUPAC name is N-cyclohexyl-N-(trifluoromethyl)octanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(trifluoromethyl)octanamide
PubChem CID44550874
Molecular FormulaC15H26F3NO
Molecular Weight293.37 g/mol
Exact Mass293.20
IUPAC NameN-cyclohexyl-N-(trifluoromethyl)octanamide
SMILESCCCCCCCC(=O)N(C1CCCCC1)C(F)(F)F
InChIInChI=1S/C15H26F3NO/c1-2-3-4-5-9-12-14(20)19(15(16,17)18)13-10-7-6-8-11-13/h13H,2-12H2,1H3
InChIKeyGYCXPAAUBLCFRZ-UHFFFAOYSA-N
XLogP5.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.37
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(trifluoromethyl)octanamide?
The IUPAC name of N-cyclohexyl-N-(trifluoromethyl)octanamide (CID 44550874) is N-cyclohexyl-N-(trifluoromethyl)octanamide.
What is the SMILES notation for N-cyclohexyl-N-(trifluoromethyl)octanamide?
The canonical SMILES for N-cyclohexyl-N-(trifluoromethyl)octanamide is CCCCCCCC(=O)N(C1CCCCC1)C(F)(F)F.
What is the InChIKey of N-cyclohexyl-N-(trifluoromethyl)octanamide?
The InChIKey is GYCXPAAUBLCFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO/c1-2-3-4-5-9-12-14(20)19(15(16,17)18)13-10-7-6-8-11-13/h13H,2-12H2,1H3.
What are the key properties of N-cyclohexyl-N-(trifluoromethyl)octanamide?
N-cyclohexyl-N-(trifluoromethyl)octanamide has a molecular weight of 293.37 g/mol, XLogP of 5.03, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(trifluoromethyl)octanamide is sourced from PubChem (CID 44550874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).