(2Z,4E)-N,N-dibutyl-2-(trifluoromethyl)hexa-2,4-dienamide

C15H24F3NO — CID 15399693

IUPAC(2Z,4E)-N,N-dibutyl-2-(trifluoromethyl)hexa-2,4-dienamide
SMILESC/C=C/C=C(/C(=O)N(CCCC)CCCC)C(F)(F)F
InChIInChI=1S/C15H24F3NO/c1-4-7-10-13(15(16,17)18)14(20)19(11-8-5-2)12-9-6-3/h4,7,10H,5-6,8-9,11-12H2,1-3H3/b7-4+,13-10-
InChIKeySCXITPVPQDWXQV-AHGNYBSDSA-N
MW291.36 g/mol
LogP4.48
Rot. Bonds8

About (2Z,4E)-N,N-dibutyl-2-(trifluoromethyl)hexa-2,4-dienamide

(2Z,4E)-N,N-dibutyl-2-(trifluoromethyl)hexa-2,4-dienamide (PubChem CID 15399693) has the molecular formula C15H24F3NO and a molecular weight of 291.36 g/mol. Its IUPAC name is (2Z,4E)-N,N-dibutyl-2-(trifluoromethyl)hexa-2,4-dienamide.

Molecular Properties

Compound Name(2Z,4E)-N,N-dibutyl-2-(trifluoromethyl)hexa-2,4-dienamide
PubChem CID15399693
Molecular FormulaC15H24F3NO
Molecular Weight291.36 g/mol
Exact Mass291.18
IUPAC Name(2Z,4E)-N,N-dibutyl-2-(trifluoromethyl)hexa-2,4-dienamide
SMILESC/C=C/C=C(/C(=O)N(CCCC)CCCC)C(F)(F)F
InChIInChI=1S/C15H24F3NO/c1-4-7-10-13(15(16,17)18)14(20)19(11-8-5-2)12-9-6-3/h4,7,10H,5-6,8-9,11-12H2,1-3H3/b7-4+,13-10-
InChIKeySCXITPVPQDWXQV-AHGNYBSDSA-N
XLogP4.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-N,N-dibutyl-2-(trifluoromethyl)hexa-2,4-dienamide?
The IUPAC name of (2Z,4E)-N,N-dibutyl-2-(trifluoromethyl)hexa-2,4-dienamide (CID 15399693) is (2Z,4E)-N,N-dibutyl-2-(trifluoromethyl)hexa-2,4-dienamide.
What is the SMILES notation for (2Z,4E)-N,N-dibutyl-2-(trifluoromethyl)hexa-2,4-dienamide?
The canonical SMILES for (2Z,4E)-N,N-dibutyl-2-(trifluoromethyl)hexa-2,4-dienamide is C/C=C/C=C(/C(=O)N(CCCC)CCCC)C(F)(F)F.
What is the InChIKey of (2Z,4E)-N,N-dibutyl-2-(trifluoromethyl)hexa-2,4-dienamide?
The InChIKey is SCXITPVPQDWXQV-AHGNYBSDSA-N. The full InChI is InChI=1S/C15H24F3NO/c1-4-7-10-13(15(16,17)18)14(20)19(11-8-5-2)12-9-6-3/h4,7,10H,5-6,8-9,11-12H2,1-3H3/b7-4+,13-10-.
What are the key properties of (2Z,4E)-N,N-dibutyl-2-(trifluoromethyl)hexa-2,4-dienamide?
(2Z,4E)-N,N-dibutyl-2-(trifluoromethyl)hexa-2,4-dienamide has a molecular weight of 291.36 g/mol, XLogP of 4.48, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-N,N-dibutyl-2-(trifluoromethyl)hexa-2,4-dienamide is sourced from PubChem (CID 15399693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).