(Z)-1-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpent-3-en-1-imine

C15H15F6N — CID 138698803

IUPAC(Z)-1-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpent-3-en-1-imine
SMILESC/C=C\C(C)/C(=N\C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H15F6N/c1-4-5-9(2)13(22-3)10-6-11(14(16,17)18)8-12(7-10)15(19,20)21/h4-9H,1-3H3/b5-4-,22-13+
InChIKeySCVWBAXDLXFOLJ-QZANSYGUSA-N
MW323.28 g/mol
LogP5.36
Rot. Bonds3

About (Z)-1-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpent-3-en-1-imine

(Z)-1-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpent-3-en-1-imine (PubChem CID 138698803) has the molecular formula C15H15F6N and a molecular weight of 323.28 g/mol. Its IUPAC name is (Z)-1-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpent-3-en-1-imine.

Molecular Properties

Compound Name(Z)-1-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpent-3-en-1-imine
PubChem CID138698803
Molecular FormulaC15H15F6N
Molecular Weight323.28 g/mol
Exact Mass323.11
IUPAC Name(Z)-1-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpent-3-en-1-imine
SMILESC/C=C\C(C)/C(=N\C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H15F6N/c1-4-5-9(2)13(22-3)10-6-11(14(16,17)18)8-12(7-10)15(19,20)21/h4-9H,1-3H3/b5-4-,22-13+
InChIKeySCVWBAXDLXFOLJ-QZANSYGUSA-N
XLogP5.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.28
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[3,5-bis(trifluoromethyl)phenyl]prop-1-en-1-ol
CID 173058879
(2R)-1-[3,5-bis(trifluoromethyl)phenyl]-2-bromopropan-1-one
CID 90951928
N-(1,1-diphenylpent-3-en-2-yl)-N-methyl-3,5-bis(trifluoromethyl)benzamide
CID 140983162
3,5-bis(trifluoromethyl)benzoic acid;ethane
CID 143967931
N-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanimine
CID 138698853
bis[3,5-bis(trifluoromethyl)phenyl]methylidenezirconium(2+)
CID 87101400
[amino-[3,5-bis(trifluoromethyl)phenyl]methylidene]azanium chloride
CID 2736101
N-[1-[3,5-bis(trifluoromethyl)phenyl]-2-methylsulfanylethylidene]hydroxylamine
CID 141086010
(2E)-1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxyiminoethanone
CID 134113339
2-[[[[1-[3,5-bis(trifluoromethyl)phenyl]-2-methylbutylidene]amino]-ethenylamino]methylidene]-3-(1-fluoroethenyl)hepta-3,5-dienamide
CID 123557465
1-[3,5-bis(trifluoromethyl)phenyl]-2-methylsulfanylethanone
CID 141086013
[3,5-bis(trifluoromethyl)phenyl] 2-methylpropanoate
CID 87431527

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpent-3-en-1-imine?
The IUPAC name of (Z)-1-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpent-3-en-1-imine (CID 138698803) is (Z)-1-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpent-3-en-1-imine.
What is the SMILES notation for (Z)-1-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpent-3-en-1-imine?
The canonical SMILES for (Z)-1-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpent-3-en-1-imine is C/C=C\C(C)/C(=N\C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of (Z)-1-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpent-3-en-1-imine?
The InChIKey is SCVWBAXDLXFOLJ-QZANSYGUSA-N. The full InChI is InChI=1S/C15H15F6N/c1-4-5-9(2)13(22-3)10-6-11(14(16,17)18)8-12(7-10)15(19,20)21/h4-9H,1-3H3/b5-4-,22-13+.
What are the key properties of (Z)-1-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpent-3-en-1-imine?
(Z)-1-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpent-3-en-1-imine has a molecular weight of 323.28 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpent-3-en-1-imine is sourced from PubChem (CID 138698803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).