(E)-N-methyl-3-(trifluoromethyl)pent-3-en-2-imine

C7H10F3N — CID 145431803

IUPAC(E)-N-methyl-3-(trifluoromethyl)pent-3-en-2-imine
SMILESC/C=C(C(\C)=N\C)/C(F)(F)F
InChIInChI=1S/C7H10F3N/c1-4-6(5(2)11-3)7(8,9)10/h4H,1-3H3/b6-4+,11-5+
InChIKeyNDBYVNBVXGPFLG-KGUOMNFLSA-N
MW165.16 g/mol
LogP2.59
Rot. Bonds1

About (E)-N-methyl-3-(trifluoromethyl)pent-3-en-2-imine

(E)-N-methyl-3-(trifluoromethyl)pent-3-en-2-imine (PubChem CID 145431803) has the molecular formula C7H10F3N and a molecular weight of 165.16 g/mol. Its IUPAC name is (E)-N-methyl-3-(trifluoromethyl)pent-3-en-2-imine.

Molecular Properties

Compound Name(E)-N-methyl-3-(trifluoromethyl)pent-3-en-2-imine
PubChem CID145431803
Molecular FormulaC7H10F3N
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC Name(E)-N-methyl-3-(trifluoromethyl)pent-3-en-2-imine
SMILESC/C=C(C(\C)=N\C)/C(F)(F)F
InChIInChI=1S/C7H10F3N/c1-4-6(5(2)11-3)7(8,9)10/h4H,1-3H3/b6-4+,11-5+
InChIKeyNDBYVNBVXGPFLG-KGUOMNFLSA-N
XLogP2.59
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-N-methyl-3-(trifluoromethyl)pent-3-en-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-5-(difluoromethyl)-2,4-dimethyl-2H-pyrrole
CID 89101610
1,1,1-trifluoro-N,4-dimethylpent-3-en-2-imine
CID 118281586
1,1,1-trifluoro-N,4-dimethylhex-3-en-2-imine
CID 123152051
1,1,1-trifluoro-N-methylhex-3-en-2-imine
CID 123164940
(E)-N-butan-2-yl-1,1,5,5-tetrafluoro-4-methylpent-3-en-2-imine
CID 123185746
(E)-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine
CID 123199800
(Z)-N-(trifluoromethyl)hex-4-en-3-imine
CID 123213688
(Z)-2-fluoro-N,4-dimethylhex-4-en-3-imine
CID 123257135
4-Methyl-6-(trifluoromethyl)-2,3-dihydropyridine
CID 123506679
N,2-dimethyl-6-(trifluoromethyl)cyclohepta-2,6-dien-1-imine
CID 123513819
1,1,1-trifluoro-N-methylpent-3-en-2-imine
CID 123560506
(E)-5,5,5-trifluoro-N,4-dimethylpent-3-en-2-imine
CID 123696234

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-3-(trifluoromethyl)pent-3-en-2-imine?
The IUPAC name of (E)-N-methyl-3-(trifluoromethyl)pent-3-en-2-imine (CID 145431803) is (E)-N-methyl-3-(trifluoromethyl)pent-3-en-2-imine.
What is the SMILES notation for (E)-N-methyl-3-(trifluoromethyl)pent-3-en-2-imine?
The canonical SMILES for (E)-N-methyl-3-(trifluoromethyl)pent-3-en-2-imine is C/C=C(C(\C)=N\C)/C(F)(F)F.
What is the InChIKey of (E)-N-methyl-3-(trifluoromethyl)pent-3-en-2-imine?
The InChIKey is NDBYVNBVXGPFLG-KGUOMNFLSA-N. The full InChI is InChI=1S/C7H10F3N/c1-4-6(5(2)11-3)7(8,9)10/h4H,1-3H3/b6-4+,11-5+.
What are the key properties of (E)-N-methyl-3-(trifluoromethyl)pent-3-en-2-imine?
(E)-N-methyl-3-(trifluoromethyl)pent-3-en-2-imine has a molecular weight of 165.16 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-3-(trifluoromethyl)pent-3-en-2-imine is sourced from PubChem (CID 145431803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).