1-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-4-ethoxy-2-fluorobenzene

C17H15F3O — CID 139790681

IUPAC1-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-4-ethoxy-2-fluorobenzene
SMILESCCOc1ccc(/C(F)=C(\F)c2ccc(C)cc2)c(F)c1
InChIInChI=1S/C17H15F3O/c1-3-21-13-8-9-14(15(18)10-13)17(20)16(19)12-6-4-11(2)5-7-12/h4-10H,3H2,1-2H3/b17-16+
InChIKeyWQZZKFLOCGNOEB-WUKNDPDISA-N
MW292.30 g/mol
LogP5.30
Rot. Bonds4

About 1-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-4-ethoxy-2-fluorobenzene

1-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-4-ethoxy-2-fluorobenzene (PubChem CID 139790681) has the molecular formula C17H15F3O and a molecular weight of 292.30 g/mol. Its IUPAC name is 1-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-4-ethoxy-2-fluorobenzene.

Molecular Properties

Compound Name1-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-4-ethoxy-2-fluorobenzene
PubChem CID139790681
Molecular FormulaC17H15F3O
Molecular Weight292.30 g/mol
Exact Mass292.11
IUPAC Name1-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-4-ethoxy-2-fluorobenzene
SMILESCCOc1ccc(/C(F)=C(\F)c2ccc(C)cc2)c(F)c1
InChIInChI=1S/C17H15F3O/c1-3-21-13-8-9-14(15(18)10-13)17(20)16(19)12-6-4-11(2)5-7-12/h4-10H,3H2,1-2H3/b17-16+
InChIKeyWQZZKFLOCGNOEB-WUKNDPDISA-N
XLogP5.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.30
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-1-[(E)-1,2-difluoro-2-(4-methoxyphenyl)ethenyl]-2-fluorobenzene
CID 139790669
2-[1,2-difluoro-2-(4-methoxyphenyl)ethenyl]-6-ethoxy-1-fluoronaphthalene
CID 139863205
(4-ethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561120
2-[2-(4-ethoxyphenyl)-1,2-difluoroethenyl]-6-ethyl-1-fluoronaphthalene
CID 139864021
(2-fluoro-4-methoxyphenyl)-(4-methylphenyl)methanone
CID 43561161
(2,4-dimethylphenyl)-(4-ethoxyphenyl)methanone
CID 43160127
5-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-1,2,3-trifluorobenzene
CID 139790731
4-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-1,2-difluorobenzene
CID 139790652
2-(3,4-difluorophenoxy)-1-(4-methylphenyl)ethanone
CID 43612523
1-(4-ethoxyphenyl)-3-(4-methylphenyl)propane-1,3-dione
CID 18428766
2-(4-ethoxy-2-fluorophenyl)ethanol
CID 117279842
N'-(4-ethoxybenzoyl)-2,4-difluorobenzohydrazide
CID 8915144

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-4-ethoxy-2-fluorobenzene?
The IUPAC name of 1-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-4-ethoxy-2-fluorobenzene (CID 139790681) is 1-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-4-ethoxy-2-fluorobenzene.
What is the SMILES notation for 1-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-4-ethoxy-2-fluorobenzene?
The canonical SMILES for 1-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-4-ethoxy-2-fluorobenzene is CCOc1ccc(/C(F)=C(\F)c2ccc(C)cc2)c(F)c1.
What is the InChIKey of 1-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-4-ethoxy-2-fluorobenzene?
The InChIKey is WQZZKFLOCGNOEB-WUKNDPDISA-N. The full InChI is InChI=1S/C17H15F3O/c1-3-21-13-8-9-14(15(18)10-13)17(20)16(19)12-6-4-11(2)5-7-12/h4-10H,3H2,1-2H3/b17-16+.
What are the key properties of 1-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-4-ethoxy-2-fluorobenzene?
1-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-4-ethoxy-2-fluorobenzene has a molecular weight of 292.30 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-4-ethoxy-2-fluorobenzene is sourced from PubChem (CID 139790681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).