(E)-3-(3-fluorophenyl)-N-prop-1-en-2-ylbut-2-en-1-imine

C13H14FN — CID 143736300

IUPAC(E)-3-(3-fluorophenyl)-N-prop-1-en-2-ylbut-2-en-1-imine
SMILESC=C(C)/N=C/C=C(\C)c1cccc(F)c1
InChIInChI=1S/C13H14FN/c1-10(2)15-8-7-11(3)12-5-4-6-13(14)9-12/h4-9H,1H2,2-3H3/b11-7+,15-8+
InChIKeyRHRDFXSMEFFFCK-YQQAFNMCSA-N
MW203.26 g/mol
LogP3.83
Rot. Bonds3

About (E)-3-(3-fluorophenyl)-N-prop-1-en-2-ylbut-2-en-1-imine

(E)-3-(3-fluorophenyl)-N-prop-1-en-2-ylbut-2-en-1-imine (PubChem CID 143736300) has the molecular formula C13H14FN and a molecular weight of 203.26 g/mol. Its IUPAC name is (E)-3-(3-fluorophenyl)-N-prop-1-en-2-ylbut-2-en-1-imine.

Molecular Properties

Compound Name(E)-3-(3-fluorophenyl)-N-prop-1-en-2-ylbut-2-en-1-imine
PubChem CID143736300
Molecular FormulaC13H14FN
Molecular Weight203.26 g/mol
Exact Mass203.11
IUPAC Name(E)-3-(3-fluorophenyl)-N-prop-1-en-2-ylbut-2-en-1-imine
SMILESC=C(C)/N=C/C=C(\C)c1cccc(F)c1
InChIInChI=1S/C13H14FN/c1-10(2)15-8-7-11(3)12-5-4-6-13(14)9-12/h4-9H,1H2,2-3H3/b11-7+,15-8+
InChIKeyRHRDFXSMEFFFCK-YQQAFNMCSA-N
XLogP3.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(Z)-2-(butylideneamino)-1-(3-fluorophenyl)but-2-en-1-one;carbanide;palladium
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2-(3-fluorophenyl)hept-1-en-3-one
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N-chloro-1-[(Z)-[(E)-3-pyridin-3-ylbut-2-enylidene]amino]ethenamine
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5-[1-(3-fluorophenyl)ethenyl]-2-methylpyrimidine
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CID 44563808

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-fluorophenyl)-N-prop-1-en-2-ylbut-2-en-1-imine?
The IUPAC name of (E)-3-(3-fluorophenyl)-N-prop-1-en-2-ylbut-2-en-1-imine (CID 143736300) is (E)-3-(3-fluorophenyl)-N-prop-1-en-2-ylbut-2-en-1-imine.
What is the SMILES notation for (E)-3-(3-fluorophenyl)-N-prop-1-en-2-ylbut-2-en-1-imine?
The canonical SMILES for (E)-3-(3-fluorophenyl)-N-prop-1-en-2-ylbut-2-en-1-imine is C=C(C)/N=C/C=C(\C)c1cccc(F)c1.
What is the InChIKey of (E)-3-(3-fluorophenyl)-N-prop-1-en-2-ylbut-2-en-1-imine?
The InChIKey is RHRDFXSMEFFFCK-YQQAFNMCSA-N. The full InChI is InChI=1S/C13H14FN/c1-10(2)15-8-7-11(3)12-5-4-6-13(14)9-12/h4-9H,1H2,2-3H3/b11-7+,15-8+.
What are the key properties of (E)-3-(3-fluorophenyl)-N-prop-1-en-2-ylbut-2-en-1-imine?
(E)-3-(3-fluorophenyl)-N-prop-1-en-2-ylbut-2-en-1-imine has a molecular weight of 203.26 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-fluorophenyl)-N-prop-1-en-2-ylbut-2-en-1-imine is sourced from PubChem (CID 143736300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).