(E)-1,1,1-trifluoro-4-(4-methylphenyl)but-3-en-2-imine

C11H10F3N — CID 101372106

IUPAC(E)-1,1,1-trifluoro-4-(4-methylphenyl)but-3-en-2-imine
SMILES[H]/N=C(/C=C/c1ccc(C)cc1)C(F)(F)F
InChIInChI=1S/C11H10F3N/c1-8-2-4-9(5-3-8)6-7-10(15)11(12,13)14/h2-7,15H,1H3/b7-6+,15-10-
InChIKeyZKSQMSXFQATYCE-ZWWGVYCGSA-N
MW213.20 g/mol
LogP3.59
Rot. Bonds2

About (E)-1,1,1-trifluoro-4-(4-methylphenyl)but-3-en-2-imine

(E)-1,1,1-trifluoro-4-(4-methylphenyl)but-3-en-2-imine (PubChem CID 101372106) has the molecular formula C11H10F3N and a molecular weight of 213.20 g/mol. Its IUPAC name is (E)-1,1,1-trifluoro-4-(4-methylphenyl)but-3-en-2-imine.

Molecular Properties

Compound Name(E)-1,1,1-trifluoro-4-(4-methylphenyl)but-3-en-2-imine
PubChem CID101372106
Molecular FormulaC11H10F3N
Molecular Weight213.20 g/mol
Exact Mass213.08
IUPAC Name(E)-1,1,1-trifluoro-4-(4-methylphenyl)but-3-en-2-imine
SMILES[H]/N=C(/C=C/c1ccc(C)cc1)C(F)(F)F
InChIInChI=1S/C11H10F3N/c1-8-2-4-9(5-3-8)6-7-10(15)11(12,13)14/h2-7,15H,1H3/b7-6+,15-10-
InChIKeyZKSQMSXFQATYCE-ZWWGVYCGSA-N
XLogP3.59
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(NE)-N-[(E)-1-(3,4-difluorophenyl)-2-methylpent-1-en-3-ylidene]hydroxylamine
CID 44135995
2,2,2-Trifluoro-1-phenylethan-1-imine
CID 12219781
N-{1-[4-(Trifluoromethyl)phenyl]ethylidene}hydroxylamine
CID 5959048
2,2,2-Trifluoro-1-(p-tolyl)ethanone oxime
CID 11579322
1-(4-(trifluoromethyl)phenyl)ethanone O-methyl oxime
CID 13808126
1-(4-Methylphenyl)-1-diazo-2,2,2-trifluoroethane
CID 14874565
Bis[4-(trifluoromethyl)phenyl]methanimine
CID 15857568
4-(Iminomethyl)-1-(trifluoromethyl)benzene
CID 19001514
Trifluoro-methyl p-tolyl ketone hydrazone
CID 129813900
1-p-Tolylethanimine
CID 290601
alpha-Methylbenzenemethanimine
CID 11389383
(NE)-N-[(E)-4-(4-fluorophenyl)but-3-en-2-ylidene]hydroxylamine
CID 12373118

Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1-trifluoro-4-(4-methylphenyl)but-3-en-2-imine?
The IUPAC name of (E)-1,1,1-trifluoro-4-(4-methylphenyl)but-3-en-2-imine (CID 101372106) is (E)-1,1,1-trifluoro-4-(4-methylphenyl)but-3-en-2-imine.
What is the SMILES notation for (E)-1,1,1-trifluoro-4-(4-methylphenyl)but-3-en-2-imine?
The canonical SMILES for (E)-1,1,1-trifluoro-4-(4-methylphenyl)but-3-en-2-imine is [H]/N=C(/C=C/c1ccc(C)cc1)C(F)(F)F.
What is the InChIKey of (E)-1,1,1-trifluoro-4-(4-methylphenyl)but-3-en-2-imine?
The InChIKey is ZKSQMSXFQATYCE-ZWWGVYCGSA-N. The full InChI is InChI=1S/C11H10F3N/c1-8-2-4-9(5-3-8)6-7-10(15)11(12,13)14/h2-7,15H,1H3/b7-6+,15-10-.
What are the key properties of (E)-1,1,1-trifluoro-4-(4-methylphenyl)but-3-en-2-imine?
(E)-1,1,1-trifluoro-4-(4-methylphenyl)but-3-en-2-imine has a molecular weight of 213.20 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1-trifluoro-4-(4-methylphenyl)but-3-en-2-imine is sourced from PubChem (CID 101372106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).