N-[(E)-4,4,4-trifluoro-3-[(2-methylcycloprop-2-en-1-yl)methyl]but-2-en-2-yl]ethanimine

C11H14F3N — CID 163979425

IUPACN-[(E)-4,4,4-trifluoro-3-[(2-methylcycloprop-2-en-1-yl)methyl]but-2-en-2-yl]ethanimine
SMILESC/C=N/C(C)=C(\CC1C=C1C)C(F)(F)F
InChIInChI=1S/C11H14F3N/c1-4-15-8(3)10(11(12,13)14)6-9-5-7(9)2/h4-5,9H,6H2,1-3H3/b10-8+,15-4+
InChIKeySXBKPMBYEXCCMP-QQCXGBIESA-N
MW217.23 g/mol
LogP3.88
Rot. Bonds3

About N-[(E)-4,4,4-trifluoro-3-[(2-methylcycloprop-2-en-1-yl)methyl]but-2-en-2-yl]ethanimine

N-[(E)-4,4,4-trifluoro-3-[(2-methylcycloprop-2-en-1-yl)methyl]but-2-en-2-yl]ethanimine (PubChem CID 163979425) has the molecular formula C11H14F3N and a molecular weight of 217.23 g/mol. Its IUPAC name is N-[(E)-4,4,4-trifluoro-3-[(2-methylcycloprop-2-en-1-yl)methyl]but-2-en-2-yl]ethanimine.

Molecular Properties

Compound NameN-[(E)-4,4,4-trifluoro-3-[(2-methylcycloprop-2-en-1-yl)methyl]but-2-en-2-yl]ethanimine
PubChem CID163979425
Molecular FormulaC11H14F3N
Molecular Weight217.23 g/mol
Exact Mass217.11
IUPAC NameN-[(E)-4,4,4-trifluoro-3-[(2-methylcycloprop-2-en-1-yl)methyl]but-2-en-2-yl]ethanimine
SMILESC/C=N/C(C)=C(\CC1C=C1C)C(F)(F)F
InChIInChI=1S/C11H14F3N/c1-4-15-8(3)10(11(12,13)14)6-9-5-7(9)2/h4-5,9H,6H2,1-3H3/b10-8+,15-4+
InChIKeySXBKPMBYEXCCMP-QQCXGBIESA-N
XLogP3.88
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 53.88
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'}

Analyze N-[(E)-4,4,4-trifluoro-3-[(2-methylcycloprop-2-en-1-yl)methyl]but-2-en-2-yl]ethanimine 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

(2Z,3S)-N-[(E)-1,1-difluorohex-2-en-2-yl]-2-ethylidene-3-methylheptan-1-imine
CID 121405139
4,7-dimethyl-5-(1,1,2-trifluoroethyl)-4,5-dihydro-3H-azepine
CID 123254628
3-ethyl-2-methyl-5-(trifluoromethyl)-4H-azepine
CID 123620995
4-Methyl-2-propan-2-yl-3-(trifluoromethyl)-2,3-dihydropyridine
CID 172628097
7-methyl-4-(trifluoromethyl)-4,5-dihydro-3H-azepine
CID 162546787
N-[(2E,7Z)-3,4,7-trimethyldeca-2,7-dien-2-yl]ethanimine
CID 156355500
N-[(3E)-2,4,5,7-tetramethylocta-3,7-dien-3-yl]ethanimine
CID 173998215

Frequently Asked Questions

What is the IUPAC name of N-[(E)-4,4,4-trifluoro-3-[(2-methylcycloprop-2-en-1-yl)methyl]but-2-en-2-yl]ethanimine?
The IUPAC name of N-[(E)-4,4,4-trifluoro-3-[(2-methylcycloprop-2-en-1-yl)methyl]but-2-en-2-yl]ethanimine (CID 163979425) is N-[(E)-4,4,4-trifluoro-3-[(2-methylcycloprop-2-en-1-yl)methyl]but-2-en-2-yl]ethanimine.
What is the SMILES notation for N-[(E)-4,4,4-trifluoro-3-[(2-methylcycloprop-2-en-1-yl)methyl]but-2-en-2-yl]ethanimine?
The canonical SMILES for N-[(E)-4,4,4-trifluoro-3-[(2-methylcycloprop-2-en-1-yl)methyl]but-2-en-2-yl]ethanimine is C/C=N/C(C)=C(\CC1C=C1C)C(F)(F)F.
What is the InChIKey of N-[(E)-4,4,4-trifluoro-3-[(2-methylcycloprop-2-en-1-yl)methyl]but-2-en-2-yl]ethanimine?
The InChIKey is SXBKPMBYEXCCMP-QQCXGBIESA-N. The full InChI is InChI=1S/C11H14F3N/c1-4-15-8(3)10(11(12,13)14)6-9-5-7(9)2/h4-5,9H,6H2,1-3H3/b10-8+,15-4+.
What are the key properties of N-[(E)-4,4,4-trifluoro-3-[(2-methylcycloprop-2-en-1-yl)methyl]but-2-en-2-yl]ethanimine?
N-[(E)-4,4,4-trifluoro-3-[(2-methylcycloprop-2-en-1-yl)methyl]but-2-en-2-yl]ethanimine has a molecular weight of 217.23 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4,4,4-trifluoro-3-[(2-methylcycloprop-2-en-1-yl)methyl]but-2-en-2-yl]ethanimine is sourced from PubChem (CID 163979425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).