4-[2-[4-[(E)-but-2-enyl]phenyl]-1,2-difluoroethenyl]-1,2-difluorobenzene

C18H14F4 — CID 175685026

IUPAC4-[2-[4-[(E)-but-2-enyl]phenyl]-1,2-difluoroethenyl]-1,2-difluorobenzene
SMILESC/C=C/Cc1ccc(C(F)=C(F)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C18H14F4/c1-2-3-4-12-5-7-13(8-6-12)17(21)18(22)14-9-10-15(19)16(20)11-14/h2-3,5-11H,4H2,1H3/b3-2+,18-17?
InChIKeyGPVMKWSRMITYAX-FZMWGMLVSA-N
MW306.30 g/mol
LogP5.85
Rot. Bonds4

About 4-[2-[4-[(E)-but-2-enyl]phenyl]-1,2-difluoroethenyl]-1,2-difluorobenzene

4-[2-[4-[(E)-but-2-enyl]phenyl]-1,2-difluoroethenyl]-1,2-difluorobenzene (PubChem CID 175685026) has the molecular formula C18H14F4 and a molecular weight of 306.30 g/mol. Its IUPAC name is 4-[2-[4-[(E)-but-2-enyl]phenyl]-1,2-difluoroethenyl]-1,2-difluorobenzene.

Molecular Properties

Compound Name4-[2-[4-[(E)-but-2-enyl]phenyl]-1,2-difluoroethenyl]-1,2-difluorobenzene
PubChem CID175685026
Molecular FormulaC18H14F4
Molecular Weight306.30 g/mol
Exact Mass306.10
IUPAC Name4-[2-[4-[(E)-but-2-enyl]phenyl]-1,2-difluoroethenyl]-1,2-difluorobenzene
SMILESC/C=C/Cc1ccc(C(F)=C(F)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C18H14F4/c1-2-3-4-12-5-7-13(8-6-12)17(21)18(22)14-9-10-15(19)16(20)11-14/h2-3,5-11H,4H2,1H3/b3-2+,18-17?
InChIKeyGPVMKWSRMITYAX-FZMWGMLVSA-N
XLogP5.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.30
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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
1-[(E)-but-2-enyl]-4-fluorobenzene
CID 13240703
4-[(E)-1,2-difluoro-2-(4-methoxyphenyl)ethenyl]-1,2-difluorobenzene
CID 139790694
methyl 4-[(Z)-but-2-enyl]benzoate
CID 102391629
4-(4-but-2-enylphenyl)-2-fluoro-1-(4-methylphenyl)benzene
CID 59307258
1-[(E)-but-2-enyl]-4-propylbenzene
CID 12579285
2-fluoro-1-[(E)-pent-3-enyl]-4-[(E)-4-[4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]phenyl]but-2-enyl]benzene
CID 126610190
4-amino-1-(3,4-difluorophenyl)butan-1-one
CID 82341709
5-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-1,2,3-trifluorobenzene
CID 139790731
2-but-2-enoxy-6-[2-(4-but-3-enylphenyl)-1,2-difluoroethenyl]-1-fluoronaphthalene
CID 139862619
6-[2-(4-but-2-enylphenyl)ethynyl]-1,2,3-trifluoronaphthalene
CID 139847029
[1-(aminomethyl)cycloheptyl]-(3,4-difluorophenyl)methanone
CID 116602023

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[(E)-but-2-enyl]phenyl]-1,2-difluoroethenyl]-1,2-difluorobenzene?
The IUPAC name of 4-[2-[4-[(E)-but-2-enyl]phenyl]-1,2-difluoroethenyl]-1,2-difluorobenzene (CID 175685026) is 4-[2-[4-[(E)-but-2-enyl]phenyl]-1,2-difluoroethenyl]-1,2-difluorobenzene.
What is the SMILES notation for 4-[2-[4-[(E)-but-2-enyl]phenyl]-1,2-difluoroethenyl]-1,2-difluorobenzene?
The canonical SMILES for 4-[2-[4-[(E)-but-2-enyl]phenyl]-1,2-difluoroethenyl]-1,2-difluorobenzene is C/C=C/Cc1ccc(C(F)=C(F)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of 4-[2-[4-[(E)-but-2-enyl]phenyl]-1,2-difluoroethenyl]-1,2-difluorobenzene?
The InChIKey is GPVMKWSRMITYAX-FZMWGMLVSA-N. The full InChI is InChI=1S/C18H14F4/c1-2-3-4-12-5-7-13(8-6-12)17(21)18(22)14-9-10-15(19)16(20)11-14/h2-3,5-11H,4H2,1H3/b3-2+,18-17?.
What are the key properties of 4-[2-[4-[(E)-but-2-enyl]phenyl]-1,2-difluoroethenyl]-1,2-difluorobenzene?
4-[2-[4-[(E)-but-2-enyl]phenyl]-1,2-difluoroethenyl]-1,2-difluorobenzene has a molecular weight of 306.30 g/mol, XLogP of 5.85, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[(E)-but-2-enyl]phenyl]-1,2-difluoroethenyl]-1,2-difluorobenzene is sourced from PubChem (CID 175685026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).