1-phenyl-2,3-bis(3,3,3-trifluoroprop-1-enyl)benzene

C18H12F6 — CID 174719569

IUPAC1-phenyl-2,3-bis(3,3,3-trifluoroprop-1-enyl)benzene
SMILESFC(F)(F)C=Cc1cccc(-c2ccccc2)c1C=CC(F)(F)F
InChIInChI=1S/C18H12F6/c19-17(20,21)11-9-14-7-4-8-15(13-5-2-1-3-6-13)16(14)10-12-18(22,23)24/h1-12H
InChIKeyQLEXXRXFSUDWIT-UHFFFAOYSA-N
MW342.28 g/mol
LogP6.50
Rot. Bonds3

About 1-phenyl-2,3-bis(3,3,3-trifluoroprop-1-enyl)benzene

1-phenyl-2,3-bis(3,3,3-trifluoroprop-1-enyl)benzene (PubChem CID 174719569) has the molecular formula C18H12F6 and a molecular weight of 342.28 g/mol. Its IUPAC name is 1-phenyl-2,3-bis(3,3,3-trifluoroprop-1-enyl)benzene.

Molecular Properties

Compound Name1-phenyl-2,3-bis(3,3,3-trifluoroprop-1-enyl)benzene
PubChem CID174719569
Molecular FormulaC18H12F6
Molecular Weight342.28 g/mol
Exact Mass342.08
IUPAC Name1-phenyl-2,3-bis(3,3,3-trifluoroprop-1-enyl)benzene
SMILESFC(F)(F)C=Cc1cccc(-c2ccccc2)c1C=CC(F)(F)F
InChIInChI=1S/C18H12F6/c19-17(20,21)11-9-14-7-4-8-15(13-5-2-1-3-6-13)16(14)10-12-18(22,23)24/h1-12H
InChIKeyQLEXXRXFSUDWIT-UHFFFAOYSA-N
XLogP6.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.28
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2,3-bis(3,3,3-trifluoroprop-1-enyl)benzene?
The IUPAC name of 1-phenyl-2,3-bis(3,3,3-trifluoroprop-1-enyl)benzene (CID 174719569) is 1-phenyl-2,3-bis(3,3,3-trifluoroprop-1-enyl)benzene.
What is the SMILES notation for 1-phenyl-2,3-bis(3,3,3-trifluoroprop-1-enyl)benzene?
The canonical SMILES for 1-phenyl-2,3-bis(3,3,3-trifluoroprop-1-enyl)benzene is FC(F)(F)C=Cc1cccc(-c2ccccc2)c1C=CC(F)(F)F.
What is the InChIKey of 1-phenyl-2,3-bis(3,3,3-trifluoroprop-1-enyl)benzene?
The InChIKey is QLEXXRXFSUDWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F6/c19-17(20,21)11-9-14-7-4-8-15(13-5-2-1-3-6-13)16(14)10-12-18(22,23)24/h1-12H.
What are the key properties of 1-phenyl-2,3-bis(3,3,3-trifluoroprop-1-enyl)benzene?
1-phenyl-2,3-bis(3,3,3-trifluoroprop-1-enyl)benzene has a molecular weight of 342.28 g/mol, XLogP of 6.50, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2,3-bis(3,3,3-trifluoroprop-1-enyl)benzene is sourced from PubChem (CID 174719569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).