(E)-N,N-dibutyl-4,4-dimethyl-2-(trifluoromethyl)pent-2-enamide

C16H28F3NO — CID 10590860

IUPAC(E)-N,N-dibutyl-4,4-dimethyl-2-(trifluoromethyl)pent-2-enamide
SMILESCCCCN(CCCC)C(=O)/C(=C\C(C)(C)C)C(F)(F)F
InChIInChI=1S/C16H28F3NO/c1-6-8-10-20(11-9-7-2)14(21)13(16(17,18)19)12-15(3,4)5/h12H,6-11H2,1-5H3/b13-12+
InChIKeyHIKAQCJZOQHCOF-OUKQBFOZSA-N
MW307.40 g/mol
LogP4.95
Rot. Bonds7

About (E)-N,N-dibutyl-4,4-dimethyl-2-(trifluoromethyl)pent-2-enamide

(E)-N,N-dibutyl-4,4-dimethyl-2-(trifluoromethyl)pent-2-enamide (PubChem CID 10590860) has the molecular formula C16H28F3NO and a molecular weight of 307.40 g/mol. Its IUPAC name is (E)-N,N-dibutyl-4,4-dimethyl-2-(trifluoromethyl)pent-2-enamide.

Molecular Properties

Compound Name(E)-N,N-dibutyl-4,4-dimethyl-2-(trifluoromethyl)pent-2-enamide
PubChem CID10590860
Molecular FormulaC16H28F3NO
Molecular Weight307.40 g/mol
Exact Mass307.21
IUPAC Name(E)-N,N-dibutyl-4,4-dimethyl-2-(trifluoromethyl)pent-2-enamide
SMILESCCCCN(CCCC)C(=O)/C(=C\C(C)(C)C)C(F)(F)F
InChIInChI=1S/C16H28F3NO/c1-6-8-10-20(11-9-7-2)14(21)13(16(17,18)19)12-15(3,4)5/h12H,6-11H2,1-5H3/b13-12+
InChIKeyHIKAQCJZOQHCOF-OUKQBFOZSA-N
XLogP4.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.95
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 (E)-N,N-dibutyl-4,4-dimethyl-2-(trifluoromethyl)pent-2-enamide?
The IUPAC name of (E)-N,N-dibutyl-4,4-dimethyl-2-(trifluoromethyl)pent-2-enamide (CID 10590860) is (E)-N,N-dibutyl-4,4-dimethyl-2-(trifluoromethyl)pent-2-enamide.
What is the SMILES notation for (E)-N,N-dibutyl-4,4-dimethyl-2-(trifluoromethyl)pent-2-enamide?
The canonical SMILES for (E)-N,N-dibutyl-4,4-dimethyl-2-(trifluoromethyl)pent-2-enamide is CCCCN(CCCC)C(=O)/C(=C\C(C)(C)C)C(F)(F)F.
What is the InChIKey of (E)-N,N-dibutyl-4,4-dimethyl-2-(trifluoromethyl)pent-2-enamide?
The InChIKey is HIKAQCJZOQHCOF-OUKQBFOZSA-N. The full InChI is InChI=1S/C16H28F3NO/c1-6-8-10-20(11-9-7-2)14(21)13(16(17,18)19)12-15(3,4)5/h12H,6-11H2,1-5H3/b13-12+.
What are the key properties of (E)-N,N-dibutyl-4,4-dimethyl-2-(trifluoromethyl)pent-2-enamide?
(E)-N,N-dibutyl-4,4-dimethyl-2-(trifluoromethyl)pent-2-enamide has a molecular weight of 307.40 g/mol, XLogP of 4.95, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dibutyl-4,4-dimethyl-2-(trifluoromethyl)pent-2-enamide is sourced from PubChem (CID 10590860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).