2-[4-(2-fluorobut-3-en-2-yl)phenyl]-5-methyl-4-methylidene-N-prop-2-enylhex-1-en-3-imine

C21H26FN — CID 91262052

IUPAC2-[4-(2-fluorobut-3-en-2-yl)phenyl]-5-methyl-4-methylidene-N-prop-2-enylhex-1-en-3-imine
SMILESC=CC/N=C(/C(=C)c1ccc(C(C)(F)C=C)cc1)C(=C)C(C)C
InChIInChI=1S/C21H26FN/c1-8-14-23-20(16(5)15(3)4)17(6)18-10-12-19(13-11-18)21(7,22)9-2/h8-13,15H,1-2,5-6,14H2,3-4,7H3/b23-20+
InChIKeyNTSMDWRABGBHTG-BSYVCWPDSA-N
MW311.44 g/mol
LogP5.91
Rot. Bonds8

About 2-[4-(2-fluorobut-3-en-2-yl)phenyl]-5-methyl-4-methylidene-N-prop-2-enylhex-1-en-3-imine

2-[4-(2-fluorobut-3-en-2-yl)phenyl]-5-methyl-4-methylidene-N-prop-2-enylhex-1-en-3-imine (PubChem CID 91262052) has the molecular formula C21H26FN and a molecular weight of 311.44 g/mol. Its IUPAC name is 2-[4-(2-fluorobut-3-en-2-yl)phenyl]-5-methyl-4-methylidene-N-prop-2-enylhex-1-en-3-imine.

Molecular Properties

Compound Name2-[4-(2-fluorobut-3-en-2-yl)phenyl]-5-methyl-4-methylidene-N-prop-2-enylhex-1-en-3-imine
PubChem CID91262052
Molecular FormulaC21H26FN
Molecular Weight311.44 g/mol
Exact Mass311.20
IUPAC Name2-[4-(2-fluorobut-3-en-2-yl)phenyl]-5-methyl-4-methylidene-N-prop-2-enylhex-1-en-3-imine
SMILESC=CC/N=C(/C(=C)c1ccc(C(C)(F)C=C)cc1)C(=C)C(C)C
InChIInChI=1S/C21H26FN/c1-8-14-23-20(16(5)15(3)4)17(6)18-10-12-19(13-11-18)21(7,22)9-2/h8-13,15H,1-2,5-6,14H2,3-4,7H3/b23-20+
InChIKeyNTSMDWRABGBHTG-BSYVCWPDSA-N
XLogP5.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.44
LogP ≤ 55.91
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 2-[4-(2-fluorobut-3-en-2-yl)phenyl]-5-methyl-4-methylidene-N-prop-2-enylhex-1-en-3-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

3-(4-Methylphenyl)-2-phenyl-6,7-dihydro-5h-1,4-diazepine
CID 44563825
2,3-bis(4-methylphenyl)-6,7-dihydro-5H-1,4-diazepine
CID 44563890
1-(4-fluorophenyl)-N-methylethanimine
CID 88225013
2-fluoro-1-phenyl-N-propan-2-ylpropan-1-imine
CID 12869998
N-prop-2-enyl-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 71665450
2-fluoro-1-phenyl-N-propan-2-ylethanimine
CID 101419520
N-butyl-2-fluoro-1-phenylethanimine
CID 101419521
2,2-difluoro-1-phenyl-N-propan-2-ylpropan-1-imine
CID 101419529
2,2-difluoro-1-phenyl-N-propan-2-ylbutan-1-imine
CID 101419530
2,2-difluoro-1-phenyl-N-propan-2-ylpentan-1-imine
CID 101419532
N-butyl-1,1-bis[4-(trifluoromethyl)phenyl]methanimine
CID 134838373
2-(2-fluoropropan-2-yl)-5-phenyl-3,4-dihydro-2H-pyrrole
CID 162408005

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorobut-3-en-2-yl)phenyl]-5-methyl-4-methylidene-N-prop-2-enylhex-1-en-3-imine?
The IUPAC name of 2-[4-(2-fluorobut-3-en-2-yl)phenyl]-5-methyl-4-methylidene-N-prop-2-enylhex-1-en-3-imine (CID 91262052) is 2-[4-(2-fluorobut-3-en-2-yl)phenyl]-5-methyl-4-methylidene-N-prop-2-enylhex-1-en-3-imine.
What is the SMILES notation for 2-[4-(2-fluorobut-3-en-2-yl)phenyl]-5-methyl-4-methylidene-N-prop-2-enylhex-1-en-3-imine?
The canonical SMILES for 2-[4-(2-fluorobut-3-en-2-yl)phenyl]-5-methyl-4-methylidene-N-prop-2-enylhex-1-en-3-imine is C=CC/N=C(/C(=C)c1ccc(C(C)(F)C=C)cc1)C(=C)C(C)C.
What is the InChIKey of 2-[4-(2-fluorobut-3-en-2-yl)phenyl]-5-methyl-4-methylidene-N-prop-2-enylhex-1-en-3-imine?
The InChIKey is NTSMDWRABGBHTG-BSYVCWPDSA-N. The full InChI is InChI=1S/C21H26FN/c1-8-14-23-20(16(5)15(3)4)17(6)18-10-12-19(13-11-18)21(7,22)9-2/h8-13,15H,1-2,5-6,14H2,3-4,7H3/b23-20+.
What are the key properties of 2-[4-(2-fluorobut-3-en-2-yl)phenyl]-5-methyl-4-methylidene-N-prop-2-enylhex-1-en-3-imine?
2-[4-(2-fluorobut-3-en-2-yl)phenyl]-5-methyl-4-methylidene-N-prop-2-enylhex-1-en-3-imine has a molecular weight of 311.44 g/mol, XLogP of 5.91, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorobut-3-en-2-yl)phenyl]-5-methyl-4-methylidene-N-prop-2-enylhex-1-en-3-imine is sourced from PubChem (CID 91262052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).