2-butyl-N-[1-(trifluoromethyl)cyclopropyl]nonanamide

C17H30F3NO — CID 146653085

IUPAC2-butyl-N-[1-(trifluoromethyl)cyclopropyl]nonanamide
SMILESCCCCCCCC(CCCC)C(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C17H30F3NO/c1-3-5-7-8-9-11-14(10-6-4-2)15(22)21-16(12-13-16)17(18,19)20/h14H,3-13H2,1-2H3,(H,21,22)
InChIKeyLTEGHSHHGBNLCW-UHFFFAOYSA-N
MW321.43 g/mol
LogP5.36
Rot. Bonds11

About 2-butyl-N-[1-(trifluoromethyl)cyclopropyl]nonanamide

2-butyl-N-[1-(trifluoromethyl)cyclopropyl]nonanamide (PubChem CID 146653085) has the molecular formula C17H30F3NO and a molecular weight of 321.43 g/mol. Its IUPAC name is 2-butyl-N-[1-(trifluoromethyl)cyclopropyl]nonanamide.

Molecular Properties

Compound Name2-butyl-N-[1-(trifluoromethyl)cyclopropyl]nonanamide
PubChem CID146653085
Molecular FormulaC17H30F3NO
Molecular Weight321.43 g/mol
Exact Mass321.23
IUPAC Name2-butyl-N-[1-(trifluoromethyl)cyclopropyl]nonanamide
SMILESCCCCCCCC(CCCC)C(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C17H30F3NO/c1-3-5-7-8-9-11-14(10-6-4-2)15(22)21-16(12-13-16)17(18,19)20/h14H,3-13H2,1-2H3,(H,21,22)
InChIKeyLTEGHSHHGBNLCW-UHFFFAOYSA-N
XLogP5.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.43
LogP ≤ 55.36
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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Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-[1-(trifluoromethyl)cyclopropyl]nonanamide?
The IUPAC name of 2-butyl-N-[1-(trifluoromethyl)cyclopropyl]nonanamide (CID 146653085) is 2-butyl-N-[1-(trifluoromethyl)cyclopropyl]nonanamide.
What is the SMILES notation for 2-butyl-N-[1-(trifluoromethyl)cyclopropyl]nonanamide?
The canonical SMILES for 2-butyl-N-[1-(trifluoromethyl)cyclopropyl]nonanamide is CCCCCCCC(CCCC)C(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of 2-butyl-N-[1-(trifluoromethyl)cyclopropyl]nonanamide?
The InChIKey is LTEGHSHHGBNLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30F3NO/c1-3-5-7-8-9-11-14(10-6-4-2)15(22)21-16(12-13-16)17(18,19)20/h14H,3-13H2,1-2H3,(H,21,22).
What are the key properties of 2-butyl-N-[1-(trifluoromethyl)cyclopropyl]nonanamide?
2-butyl-N-[1-(trifluoromethyl)cyclopropyl]nonanamide has a molecular weight of 321.43 g/mol, XLogP of 5.36, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-[1-(trifluoromethyl)cyclopropyl]nonanamide is sourced from PubChem (CID 146653085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).