4-[(E)-1,2-difluoro-2-(4-methoxyphenyl)ethenyl]-1,2-difluorobenzene

C15H10F4O — CID 139790694

IUPAC4-[(E)-1,2-difluoro-2-(4-methoxyphenyl)ethenyl]-1,2-difluorobenzene
SMILESCOc1ccc(/C(F)=C(\F)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C15H10F4O/c1-20-11-5-2-9(3-6-11)14(18)15(19)10-4-7-12(16)13(17)8-10/h2-8H,1H3/b15-14+
InChIKeyYNBGBTPCUYRHTE-CCEZHUSRSA-N
MW282.24 g/mol
LogP4.74
Rot. Bonds3

About 4-[(E)-1,2-difluoro-2-(4-methoxyphenyl)ethenyl]-1,2-difluorobenzene

4-[(E)-1,2-difluoro-2-(4-methoxyphenyl)ethenyl]-1,2-difluorobenzene (PubChem CID 139790694) has the molecular formula C15H10F4O and a molecular weight of 282.24 g/mol. Its IUPAC name is 4-[(E)-1,2-difluoro-2-(4-methoxyphenyl)ethenyl]-1,2-difluorobenzene.

Molecular Properties

Compound Name4-[(E)-1,2-difluoro-2-(4-methoxyphenyl)ethenyl]-1,2-difluorobenzene
PubChem CID139790694
Molecular FormulaC15H10F4O
Molecular Weight282.24 g/mol
Exact Mass282.07
IUPAC Name4-[(E)-1,2-difluoro-2-(4-methoxyphenyl)ethenyl]-1,2-difluorobenzene
SMILESCOc1ccc(/C(F)=C(\F)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C15H10F4O/c1-20-11-5-2-9(3-6-11)14(18)15(19)10-4-7-12(16)13(17)8-10/h2-8H,1H3/b15-14+
InChIKeyYNBGBTPCUYRHTE-CCEZHUSRSA-N
XLogP4.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.24
LogP ≤ 54.74
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-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-1,2-difluorobenzene
CID 139790652
(3,4-difluorophenyl) 4-methoxybenzoate
CID 159231931
1-(3,4-difluorophenyl)-3-(4-methoxyphenyl)prop-2-yn-1-one
CID 121427093
2-[1,2-difluoro-2-(4-prop-2-enoxyphenyl)ethenyl]-6-methoxynaphthalene
CID 139863491
(3,4-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561111
4-butoxy-1-[(E)-1,2-difluoro-2-(4-methoxyphenyl)ethenyl]-2-fluorobenzene
CID 139790669
[(Z)-1,2-difluoro-2-(4-methoxyphenyl)ethenyl]-trimethylsilane
CID 11322461
(1E,4E)-1,2,4,5-tetrafluoro-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one
CID 6037096
4-[2-[4-[(E)-but-2-enyl]phenyl]-1,2-difluoroethenyl]-1,2-difluorobenzene
CID 175685026
CID 12714057
CID 12714057
2,3-difluoro-1,3-bis(4-methoxyphenyl)prop-2-en-1-one
CID 5186455
(E)-2,3-difluoro-1,3-bis(4-methoxyphenyl)prop-2-en-1-one
CID 6295005

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-1,2-difluoro-2-(4-methoxyphenyl)ethenyl]-1,2-difluorobenzene?
The IUPAC name of 4-[(E)-1,2-difluoro-2-(4-methoxyphenyl)ethenyl]-1,2-difluorobenzene (CID 139790694) is 4-[(E)-1,2-difluoro-2-(4-methoxyphenyl)ethenyl]-1,2-difluorobenzene.
What is the SMILES notation for 4-[(E)-1,2-difluoro-2-(4-methoxyphenyl)ethenyl]-1,2-difluorobenzene?
The canonical SMILES for 4-[(E)-1,2-difluoro-2-(4-methoxyphenyl)ethenyl]-1,2-difluorobenzene is COc1ccc(/C(F)=C(\F)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of 4-[(E)-1,2-difluoro-2-(4-methoxyphenyl)ethenyl]-1,2-difluorobenzene?
The InChIKey is YNBGBTPCUYRHTE-CCEZHUSRSA-N. The full InChI is InChI=1S/C15H10F4O/c1-20-11-5-2-9(3-6-11)14(18)15(19)10-4-7-12(16)13(17)8-10/h2-8H,1H3/b15-14+.
What are the key properties of 4-[(E)-1,2-difluoro-2-(4-methoxyphenyl)ethenyl]-1,2-difluorobenzene?
4-[(E)-1,2-difluoro-2-(4-methoxyphenyl)ethenyl]-1,2-difluorobenzene has a molecular weight of 282.24 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1,2-difluoro-2-(4-methoxyphenyl)ethenyl]-1,2-difluorobenzene is sourced from PubChem (CID 139790694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).