1-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]-4-[(E)-2,3,3,3-tetrafluoroprop-1-enyl]benzene

C12H6F8 — CID 125477686

IUPAC1-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]-4-[(E)-2,3,3,3-tetrafluoroprop-1-enyl]benzene
SMILESF/C(=C\c1ccc(/C=C(/F)C(F)(F)F)cc1)C(F)(F)F
InChIInChI=1S/C12H6F8/c13-9(11(15,16)17)5-7-1-2-8(4-3-7)6-10(14)12(18,19)20/h1-6H/b9-5-,10-6+
InChIKeyNIYJXZKEKUBVSZ-VTBWALSUSA-N
MW302.16 g/mol
LogP5.43
Rot. Bonds2

About 1-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]-4-[(E)-2,3,3,3-tetrafluoroprop-1-enyl]benzene

1-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]-4-[(E)-2,3,3,3-tetrafluoroprop-1-enyl]benzene (PubChem CID 125477686) has the molecular formula C12H6F8 and a molecular weight of 302.16 g/mol. Its IUPAC name is 1-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]-4-[(E)-2,3,3,3-tetrafluoroprop-1-enyl]benzene.

Molecular Properties

Compound Name1-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]-4-[(E)-2,3,3,3-tetrafluoroprop-1-enyl]benzene
PubChem CID125477686
Molecular FormulaC12H6F8
Molecular Weight302.16 g/mol
Exact Mass302.03
IUPAC Name1-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]-4-[(E)-2,3,3,3-tetrafluoroprop-1-enyl]benzene
SMILESF/C(=C\c1ccc(/C=C(/F)C(F)(F)F)cc1)C(F)(F)F
InChIInChI=1S/C12H6F8/c13-9(11(15,16)17)5-7-1-2-8(4-3-7)6-10(14)12(18,19)20/h1-6H/b9-5-,10-6+
InChIKeyNIYJXZKEKUBVSZ-VTBWALSUSA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.16
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]-4-[(E)-2,3,3,3-tetrafluoroprop-1-enyl]benzene?
The IUPAC name of 1-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]-4-[(E)-2,3,3,3-tetrafluoroprop-1-enyl]benzene (CID 125477686) is 1-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]-4-[(E)-2,3,3,3-tetrafluoroprop-1-enyl]benzene.
What is the SMILES notation for 1-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]-4-[(E)-2,3,3,3-tetrafluoroprop-1-enyl]benzene?
The canonical SMILES for 1-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]-4-[(E)-2,3,3,3-tetrafluoroprop-1-enyl]benzene is F/C(=C\c1ccc(/C=C(/F)C(F)(F)F)cc1)C(F)(F)F.
What is the InChIKey of 1-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]-4-[(E)-2,3,3,3-tetrafluoroprop-1-enyl]benzene?
The InChIKey is NIYJXZKEKUBVSZ-VTBWALSUSA-N. The full InChI is InChI=1S/C12H6F8/c13-9(11(15,16)17)5-7-1-2-8(4-3-7)6-10(14)12(18,19)20/h1-6H/b9-5-,10-6+.
What are the key properties of 1-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]-4-[(E)-2,3,3,3-tetrafluoroprop-1-enyl]benzene?
1-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]-4-[(E)-2,3,3,3-tetrafluoroprop-1-enyl]benzene has a molecular weight of 302.16 g/mol, XLogP of 5.43, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]-4-[(E)-2,3,3,3-tetrafluoroprop-1-enyl]benzene is sourced from PubChem (CID 125477686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).