(Z)-N,N-dibutyl-2-(trifluoromethyl)hex-2-enamide

C15H26F3NO — CID 15399687

IUPAC(Z)-N,N-dibutyl-2-(trifluoromethyl)hex-2-enamide
SMILESCCC/C=C(/C(=O)N(CCCC)CCCC)C(F)(F)F
InChIInChI=1S/C15H26F3NO/c1-4-7-10-13(15(16,17)18)14(20)19(11-8-5-2)12-9-6-3/h10H,4-9,11-12H2,1-3H3/b13-10-
InChIKeyMIDWIRQIMCJDAR-RAXLEYEMSA-N
MW293.37 g/mol
LogP4.70
Rot. Bonds9

About (Z)-N,N-dibutyl-2-(trifluoromethyl)hex-2-enamide

(Z)-N,N-dibutyl-2-(trifluoromethyl)hex-2-enamide (PubChem CID 15399687) has the molecular formula C15H26F3NO and a molecular weight of 293.37 g/mol. Its IUPAC name is (Z)-N,N-dibutyl-2-(trifluoromethyl)hex-2-enamide.

Molecular Properties

Compound Name(Z)-N,N-dibutyl-2-(trifluoromethyl)hex-2-enamide
PubChem CID15399687
Molecular FormulaC15H26F3NO
Molecular Weight293.37 g/mol
Exact Mass293.20
IUPAC Name(Z)-N,N-dibutyl-2-(trifluoromethyl)hex-2-enamide
SMILESCCC/C=C(/C(=O)N(CCCC)CCCC)C(F)(F)F
InChIInChI=1S/C15H26F3NO/c1-4-7-10-13(15(16,17)18)14(20)19(11-8-5-2)12-9-6-3/h10H,4-9,11-12H2,1-3H3/b13-10-
InChIKeyMIDWIRQIMCJDAR-RAXLEYEMSA-N
XLogP4.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N,N-dibutyl-2-(trifluoromethyl)hex-2-enamide?
The IUPAC name of (Z)-N,N-dibutyl-2-(trifluoromethyl)hex-2-enamide (CID 15399687) is (Z)-N,N-dibutyl-2-(trifluoromethyl)hex-2-enamide.
What is the SMILES notation for (Z)-N,N-dibutyl-2-(trifluoromethyl)hex-2-enamide?
The canonical SMILES for (Z)-N,N-dibutyl-2-(trifluoromethyl)hex-2-enamide is CCC/C=C(/C(=O)N(CCCC)CCCC)C(F)(F)F.
What is the InChIKey of (Z)-N,N-dibutyl-2-(trifluoromethyl)hex-2-enamide?
The InChIKey is MIDWIRQIMCJDAR-RAXLEYEMSA-N. The full InChI is InChI=1S/C15H26F3NO/c1-4-7-10-13(15(16,17)18)14(20)19(11-8-5-2)12-9-6-3/h10H,4-9,11-12H2,1-3H3/b13-10-.
What are the key properties of (Z)-N,N-dibutyl-2-(trifluoromethyl)hex-2-enamide?
(Z)-N,N-dibutyl-2-(trifluoromethyl)hex-2-enamide has a molecular weight of 293.37 g/mol, XLogP of 4.70, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N-dibutyl-2-(trifluoromethyl)hex-2-enamide is sourced from PubChem (CID 15399687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).