2-ethenyl-1-(4-fluorophenyl)-N,3-dimethylbut-2-en-1-imine

C14H16FN — CID 143488506

IUPAC2-ethenyl-1-(4-fluorophenyl)-N,3-dimethylbut-2-en-1-imine
SMILESC=CC(=C(C)C)/C(=N\C)c1ccc(F)cc1
InChIInChI=1S/C14H16FN/c1-5-13(10(2)3)14(16-4)11-6-8-12(15)9-7-11/h5-9H,1H2,2-4H3/b16-14-
InChIKeyAYKURLXLNKPFGC-PEZBUJJGSA-N
MW217.29 g/mol
LogP3.77
Rot. Bonds3

About 2-ethenyl-1-(4-fluorophenyl)-N,3-dimethylbut-2-en-1-imine

2-ethenyl-1-(4-fluorophenyl)-N,3-dimethylbut-2-en-1-imine (PubChem CID 143488506) has the molecular formula C14H16FN and a molecular weight of 217.29 g/mol. Its IUPAC name is 2-ethenyl-1-(4-fluorophenyl)-N,3-dimethylbut-2-en-1-imine.

Molecular Properties

Compound Name2-ethenyl-1-(4-fluorophenyl)-N,3-dimethylbut-2-en-1-imine
PubChem CID143488506
Molecular FormulaC14H16FN
Molecular Weight217.29 g/mol
Exact Mass217.13
IUPAC Name2-ethenyl-1-(4-fluorophenyl)-N,3-dimethylbut-2-en-1-imine
SMILESC=CC(=C(C)C)/C(=N\C)c1ccc(F)cc1
InChIInChI=1S/C14H16FN/c1-5-13(10(2)3)14(16-4)11-6-8-12(15)9-7-11/h5-9H,1H2,2-4H3/b16-14-
InChIKeyAYKURLXLNKPFGC-PEZBUJJGSA-N
XLogP3.77
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-buta-1,3-dien-2-yl-4-fluorobenzene
CID 45090452
(NE)-N-[(2E)-1,2-bis(4-fluorophenyl)-2-hydroxyiminoethylidene]hydroxylamine
CID 177490589
(Z)-4-(4-fluorophenyl)-N-methylhept-3-en-2-imine
CID 123174116
(3Z)-4-(4-fluorophenyl)hexa-3,5-diene-3-thiol
CID 126611428
[1-(4-fluorophenyl)ethylideneamino]-trimethylazanium
CID 3943522
1-fluoro-4-(1-methylsulfanylprop-1-en-2-yl)benzene
CID 123675178
1-(4-fluorophenyl)-N-methylpropan-1-imine
CID 142869606
3-amino-2-[C-(4-chlorophenyl)-N-methylcarbonimidoyl]-3-(2,4-difluorophenyl)prop-2-enal
CID 163680388
(3Z)-3-[3-(4-fluorophenoxy)propyl]-N,4-dimethylhexa-3,5-dien-2-imine
CID 145018564
1-(4-fluorophenyl)-N,N-dimethylethenamine
CID 54285953
1-(1-bromoprop-1-en-2-yl)-4-fluorobenzene
CID 86644757
1-fluoro-4-(3-methylpenta-1,4-dien-2-yl)benzene
CID 86259242

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1-(4-fluorophenyl)-N,3-dimethylbut-2-en-1-imine?
The IUPAC name of 2-ethenyl-1-(4-fluorophenyl)-N,3-dimethylbut-2-en-1-imine (CID 143488506) is 2-ethenyl-1-(4-fluorophenyl)-N,3-dimethylbut-2-en-1-imine.
What is the SMILES notation for 2-ethenyl-1-(4-fluorophenyl)-N,3-dimethylbut-2-en-1-imine?
The canonical SMILES for 2-ethenyl-1-(4-fluorophenyl)-N,3-dimethylbut-2-en-1-imine is C=CC(=C(C)C)/C(=N\C)c1ccc(F)cc1.
What is the InChIKey of 2-ethenyl-1-(4-fluorophenyl)-N,3-dimethylbut-2-en-1-imine?
The InChIKey is AYKURLXLNKPFGC-PEZBUJJGSA-N. The full InChI is InChI=1S/C14H16FN/c1-5-13(10(2)3)14(16-4)11-6-8-12(15)9-7-11/h5-9H,1H2,2-4H3/b16-14-.
What are the key properties of 2-ethenyl-1-(4-fluorophenyl)-N,3-dimethylbut-2-en-1-imine?
2-ethenyl-1-(4-fluorophenyl)-N,3-dimethylbut-2-en-1-imine has a molecular weight of 217.29 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-(4-fluorophenyl)-N,3-dimethylbut-2-en-1-imine is sourced from PubChem (CID 143488506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).