N-ethyl-N-(trifluoromethyl)octanamide

C11H20F3NO — CID 166041281

IUPACN-ethyl-N-(trifluoromethyl)octanamide
SMILESCCCCCCCC(=O)N(CC)C(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-3-5-6-7-8-9-10(16)15(4-2)11(12,13)14/h3-9H2,1-2H3
InChIKeyCNOADIAFKRKEPD-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.72
Rot. Bonds7

About N-ethyl-N-(trifluoromethyl)octanamide

N-ethyl-N-(trifluoromethyl)octanamide (PubChem CID 166041281) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is N-ethyl-N-(trifluoromethyl)octanamide.

Molecular Properties

Compound NameN-ethyl-N-(trifluoromethyl)octanamide
PubChem CID166041281
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC NameN-ethyl-N-(trifluoromethyl)octanamide
SMILESCCCCCCCC(=O)N(CC)C(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-3-5-6-7-8-9-10(16)15(4-2)11(12,13)14/h3-9H2,1-2H3
InChIKeyCNOADIAFKRKEPD-UHFFFAOYSA-N
XLogP3.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 53.72
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-ethyl-N-(trifluoromethyl)octanamide?
The IUPAC name of N-ethyl-N-(trifluoromethyl)octanamide (CID 166041281) is N-ethyl-N-(trifluoromethyl)octanamide.
What is the SMILES notation for N-ethyl-N-(trifluoromethyl)octanamide?
The canonical SMILES for N-ethyl-N-(trifluoromethyl)octanamide is CCCCCCCC(=O)N(CC)C(F)(F)F.
What is the InChIKey of N-ethyl-N-(trifluoromethyl)octanamide?
The InChIKey is CNOADIAFKRKEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-3-5-6-7-8-9-10(16)15(4-2)11(12,13)14/h3-9H2,1-2H3.
What are the key properties of N-ethyl-N-(trifluoromethyl)octanamide?
N-ethyl-N-(trifluoromethyl)octanamide has a molecular weight of 239.28 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(trifluoromethyl)octanamide is sourced from PubChem (CID 166041281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).