(Z)-3-chloro-4,4,4-trifluoro-N-(2-methylpropyl)-2-phenylbut-2-en-1-imine

C14H15ClF3N — CID 10902335

IUPAC(Z)-3-chloro-4,4,4-trifluoro-N-(2-methylpropyl)-2-phenylbut-2-en-1-imine
SMILESCC(C)C/N=C/C(=C(\Cl)C(F)(F)F)c1ccccc1
InChIInChI=1S/C14H15ClF3N/c1-10(2)8-19-9-12(13(15)14(16,17)18)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3/b13-12+,19-9+
InChIKeyWTUKKMSVQBUMNS-DFMKLQABSA-N
MW289.73 g/mol
LogP4.93
Rot. Bonds4

About (Z)-3-chloro-4,4,4-trifluoro-N-(2-methylpropyl)-2-phenylbut-2-en-1-imine

(Z)-3-chloro-4,4,4-trifluoro-N-(2-methylpropyl)-2-phenylbut-2-en-1-imine (PubChem CID 10902335) has the molecular formula C14H15ClF3N and a molecular weight of 289.73 g/mol. Its IUPAC name is (Z)-3-chloro-4,4,4-trifluoro-N-(2-methylpropyl)-2-phenylbut-2-en-1-imine.

Molecular Properties

Compound Name(Z)-3-chloro-4,4,4-trifluoro-N-(2-methylpropyl)-2-phenylbut-2-en-1-imine
PubChem CID10902335
Molecular FormulaC14H15ClF3N
Molecular Weight289.73 g/mol
Exact Mass289.08
IUPAC Name(Z)-3-chloro-4,4,4-trifluoro-N-(2-methylpropyl)-2-phenylbut-2-en-1-imine
SMILESCC(C)C/N=C/C(=C(\Cl)C(F)(F)F)c1ccccc1
InChIInChI=1S/C14H15ClF3N/c1-10(2)8-19-9-12(13(15)14(16,17)18)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3/b13-12+,19-9+
InChIKeyWTUKKMSVQBUMNS-DFMKLQABSA-N
XLogP4.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.73
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-chloro-4,4,4-trifluoro-N,2-diphenylbut-2-en-1-imine
CID 177419498
4-ethylimino-1,1,1-trifluoro-3-phenylbut-2-en-2-amine
CID 174037599
(Z)-5-chloro-6,6,6-trifluoro-4-phenylhex-4-en-2-amine
CID 170891137
(2Z)-1,1,1-trifluoro-5-methyl-3-phenylhexa-2,4-dien-2-ol
CID 132542568
2,2-dichloro-2-fluoro-1-phenyl-N-propan-2-ylethanimine
CID 102322180
(Z)-1,1,1-trifluoro-4-oxo-3-phenylbut-2-ene-2-thiolate
CID 137279575
(1,1-dichloro-3,3,3-trifluoroprop-1-en-2-yl)benzene
CID 11770583
2,2,2-trifluoro-N-[(1R)-1-phenylethyl]ethanimidoyl chloride
CID 10966483
2,2,2-trifluoro-1-phenyl-N-[(1R)-1-phenylethyl]ethanimine
CID 11323391
N-propan-2-ylbenzenecarboximidoyl chloride
CID 7131025
[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino] 2,4-dimethyl-2-propan-2-ylpentanoate
CID 172921349
(E,4R)-5,5,5-trifluoro-4-methyl-2-phenylpent-2-enal
CID 125493234

Frequently Asked Questions

What is the IUPAC name of (Z)-3-chloro-4,4,4-trifluoro-N-(2-methylpropyl)-2-phenylbut-2-en-1-imine?
The IUPAC name of (Z)-3-chloro-4,4,4-trifluoro-N-(2-methylpropyl)-2-phenylbut-2-en-1-imine (CID 10902335) is (Z)-3-chloro-4,4,4-trifluoro-N-(2-methylpropyl)-2-phenylbut-2-en-1-imine.
What is the SMILES notation for (Z)-3-chloro-4,4,4-trifluoro-N-(2-methylpropyl)-2-phenylbut-2-en-1-imine?
The canonical SMILES for (Z)-3-chloro-4,4,4-trifluoro-N-(2-methylpropyl)-2-phenylbut-2-en-1-imine is CC(C)C/N=C/C(=C(\Cl)C(F)(F)F)c1ccccc1.
What is the InChIKey of (Z)-3-chloro-4,4,4-trifluoro-N-(2-methylpropyl)-2-phenylbut-2-en-1-imine?
The InChIKey is WTUKKMSVQBUMNS-DFMKLQABSA-N. The full InChI is InChI=1S/C14H15ClF3N/c1-10(2)8-19-9-12(13(15)14(16,17)18)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3/b13-12+,19-9+.
What are the key properties of (Z)-3-chloro-4,4,4-trifluoro-N-(2-methylpropyl)-2-phenylbut-2-en-1-imine?
(Z)-3-chloro-4,4,4-trifluoro-N-(2-methylpropyl)-2-phenylbut-2-en-1-imine has a molecular weight of 289.73 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-chloro-4,4,4-trifluoro-N-(2-methylpropyl)-2-phenylbut-2-en-1-imine is sourced from PubChem (CID 10902335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).