2-(1,1-difluoroethyl)-1-ethenyl-4-[(Z)-1,4,4,4-tetrafluoro-3-(4-fluorophenyl)but-1-enyl]benzene

C20H15F7 — CID 130291763

IUPAC2-(1,1-difluoroethyl)-1-ethenyl-4-[(Z)-1,4,4,4-tetrafluoro-3-(4-fluorophenyl)but-1-enyl]benzene
SMILESC=Cc1ccc(/C(F)=C/C(c2ccc(F)cc2)C(F)(F)F)cc1C(C)(F)F
InChIInChI=1S/C20H15F7/c1-3-12-4-5-14(10-16(12)19(2,23)24)18(22)11-17(20(25,26)27)13-6-8-15(21)9-7-13/h3-11,17H,1H2,2H3/b18-11-
InChIKeyJIBKJAXZOMQZHW-WQRHYEAKSA-N
MW388.33 g/mol
LogP7.24
Rot. Bonds5

About 2-(1,1-difluoroethyl)-1-ethenyl-4-[(Z)-1,4,4,4-tetrafluoro-3-(4-fluorophenyl)but-1-enyl]benzene

2-(1,1-difluoroethyl)-1-ethenyl-4-[(Z)-1,4,4,4-tetrafluoro-3-(4-fluorophenyl)but-1-enyl]benzene (PubChem CID 130291763) has the molecular formula C20H15F7 and a molecular weight of 388.33 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-1-ethenyl-4-[(Z)-1,4,4,4-tetrafluoro-3-(4-fluorophenyl)but-1-enyl]benzene.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-1-ethenyl-4-[(Z)-1,4,4,4-tetrafluoro-3-(4-fluorophenyl)but-1-enyl]benzene
PubChem CID130291763
Molecular FormulaC20H15F7
Molecular Weight388.33 g/mol
Exact Mass388.11
IUPAC Name2-(1,1-difluoroethyl)-1-ethenyl-4-[(Z)-1,4,4,4-tetrafluoro-3-(4-fluorophenyl)but-1-enyl]benzene
SMILESC=Cc1ccc(/C(F)=C/C(c2ccc(F)cc2)C(F)(F)F)cc1C(C)(F)F
InChIInChI=1S/C20H15F7/c1-3-12-4-5-14(10-16(12)19(2,23)24)18(22)11-17(20(25,26)27)13-6-8-15(21)9-7-13/h3-11,17H,1H2,2H3/b18-11-
InChIKeyJIBKJAXZOMQZHW-WQRHYEAKSA-N
XLogP7.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.33
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-1-ethenyl-4-[(Z)-1,4,4,4-tetrafluoro-3-(4-fluorophenyl)but-1-enyl]benzene?
The IUPAC name of 2-(1,1-difluoroethyl)-1-ethenyl-4-[(Z)-1,4,4,4-tetrafluoro-3-(4-fluorophenyl)but-1-enyl]benzene (CID 130291763) is 2-(1,1-difluoroethyl)-1-ethenyl-4-[(Z)-1,4,4,4-tetrafluoro-3-(4-fluorophenyl)but-1-enyl]benzene.
What is the SMILES notation for 2-(1,1-difluoroethyl)-1-ethenyl-4-[(Z)-1,4,4,4-tetrafluoro-3-(4-fluorophenyl)but-1-enyl]benzene?
The canonical SMILES for 2-(1,1-difluoroethyl)-1-ethenyl-4-[(Z)-1,4,4,4-tetrafluoro-3-(4-fluorophenyl)but-1-enyl]benzene is C=Cc1ccc(/C(F)=C/C(c2ccc(F)cc2)C(F)(F)F)cc1C(C)(F)F.
What is the InChIKey of 2-(1,1-difluoroethyl)-1-ethenyl-4-[(Z)-1,4,4,4-tetrafluoro-3-(4-fluorophenyl)but-1-enyl]benzene?
The InChIKey is JIBKJAXZOMQZHW-WQRHYEAKSA-N. The full InChI is InChI=1S/C20H15F7/c1-3-12-4-5-14(10-16(12)19(2,23)24)18(22)11-17(20(25,26)27)13-6-8-15(21)9-7-13/h3-11,17H,1H2,2H3/b18-11-.
What are the key properties of 2-(1,1-difluoroethyl)-1-ethenyl-4-[(Z)-1,4,4,4-tetrafluoro-3-(4-fluorophenyl)but-1-enyl]benzene?
2-(1,1-difluoroethyl)-1-ethenyl-4-[(Z)-1,4,4,4-tetrafluoro-3-(4-fluorophenyl)but-1-enyl]benzene has a molecular weight of 388.33 g/mol, XLogP of 7.24, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-1-ethenyl-4-[(Z)-1,4,4,4-tetrafluoro-3-(4-fluorophenyl)but-1-enyl]benzene is sourced from PubChem (CID 130291763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).