2-ethoxy-N-ethyl-1-(4-fluorophenyl)prop-2-en-1-imine

C13H16FNO — CID 149421803

IUPAC2-ethoxy-N-ethyl-1-(4-fluorophenyl)prop-2-en-1-imine
SMILESC=C(OCC)/C(=N\CC)c1ccc(F)cc1
InChIInChI=1S/C13H16FNO/c1-4-15-13(10(3)16-5-2)11-6-8-12(14)9-7-11/h6-9H,3-5H2,1-2H3/b15-13+
InChIKeyYTHULRLVCCDYSD-FYWRMAATSA-N
MW221.27 g/mol
LogP3.18
Rot. Bonds5

About 2-ethoxy-N-ethyl-1-(4-fluorophenyl)prop-2-en-1-imine

2-ethoxy-N-ethyl-1-(4-fluorophenyl)prop-2-en-1-imine (PubChem CID 149421803) has the molecular formula C13H16FNO and a molecular weight of 221.27 g/mol. Its IUPAC name is 2-ethoxy-N-ethyl-1-(4-fluorophenyl)prop-2-en-1-imine.

Molecular Properties

Compound Name2-ethoxy-N-ethyl-1-(4-fluorophenyl)prop-2-en-1-imine
PubChem CID149421803
Molecular FormulaC13H16FNO
Molecular Weight221.27 g/mol
Exact Mass221.12
IUPAC Name2-ethoxy-N-ethyl-1-(4-fluorophenyl)prop-2-en-1-imine
SMILESC=C(OCC)/C(=N\CC)c1ccc(F)cc1
InChIInChI=1S/C13H16FNO/c1-4-15-13(10(3)16-5-2)11-6-8-12(14)9-7-11/h6-9H,3-5H2,1-2H3/b15-13+
InChIKeyYTHULRLVCCDYSD-FYWRMAATSA-N
XLogP3.18
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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(NE)-N-[(2S)-1-(3,4-difluorophenyl)-2-methoxypropylidene]hydroxylamine
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5-(4-fluorophenyl)-3,6-dihydro-2H-1,4-oxazine
CID 66641810
2-[2-(2,5-Difluorophenyl)ethoxymethyl]-6-ethyl-3,4-dihydropyridine
CID 68570051
2-But-3-en-2-yloxy-1-(2-fluorophenyl)ethanimine
CID 88848971
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CID 90253242
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CID 91003246

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-ethyl-1-(4-fluorophenyl)prop-2-en-1-imine?
The IUPAC name of 2-ethoxy-N-ethyl-1-(4-fluorophenyl)prop-2-en-1-imine (CID 149421803) is 2-ethoxy-N-ethyl-1-(4-fluorophenyl)prop-2-en-1-imine.
What is the SMILES notation for 2-ethoxy-N-ethyl-1-(4-fluorophenyl)prop-2-en-1-imine?
The canonical SMILES for 2-ethoxy-N-ethyl-1-(4-fluorophenyl)prop-2-en-1-imine is C=C(OCC)/C(=N\CC)c1ccc(F)cc1.
What is the InChIKey of 2-ethoxy-N-ethyl-1-(4-fluorophenyl)prop-2-en-1-imine?
The InChIKey is YTHULRLVCCDYSD-FYWRMAATSA-N. The full InChI is InChI=1S/C13H16FNO/c1-4-15-13(10(3)16-5-2)11-6-8-12(14)9-7-11/h6-9H,3-5H2,1-2H3/b15-13+.
What are the key properties of 2-ethoxy-N-ethyl-1-(4-fluorophenyl)prop-2-en-1-imine?
2-ethoxy-N-ethyl-1-(4-fluorophenyl)prop-2-en-1-imine has a molecular weight of 221.27 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-ethyl-1-(4-fluorophenyl)prop-2-en-1-imine is sourced from PubChem (CID 149421803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).