1-chloro-2-[4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)phenyl]benzene

C15H8ClF5 — CID 71393992

IUPAC1-chloro-2-[4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)phenyl]benzene
SMILESFC(F)=C(c1ccc(-c2ccccc2Cl)cc1)C(F)(F)F
InChIInChI=1S/C15H8ClF5/c16-12-4-2-1-3-11(12)9-5-7-10(8-6-9)13(14(17)18)15(19,20)21/h1-8H
InChIKeyVMXSHOWGFDSCJY-UHFFFAOYSA-N
MW318.67 g/mol
LogP6.18
Rot. Bonds2

About 1-chloro-2-[4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)phenyl]benzene

1-chloro-2-[4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)phenyl]benzene (PubChem CID 71393992) has the molecular formula C15H8ClF5 and a molecular weight of 318.67 g/mol. Its IUPAC name is 1-chloro-2-[4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)phenyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)phenyl]benzene
PubChem CID71393992
Molecular FormulaC15H8ClF5
Molecular Weight318.67 g/mol
Exact Mass318.02
IUPAC Name1-chloro-2-[4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)phenyl]benzene
SMILESFC(F)=C(c1ccc(-c2ccccc2Cl)cc1)C(F)(F)F
InChIInChI=1S/C15H8ClF5/c16-12-4-2-1-3-11(12)9-5-7-10(8-6-9)13(14(17)18)15(19,20)21/h1-8H
InChIKeyVMXSHOWGFDSCJY-UHFFFAOYSA-N
XLogP6.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.67
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)phenyl]benzene?
The IUPAC name of 1-chloro-2-[4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)phenyl]benzene (CID 71393992) is 1-chloro-2-[4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)phenyl]benzene.
What is the SMILES notation for 1-chloro-2-[4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)phenyl]benzene?
The canonical SMILES for 1-chloro-2-[4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)phenyl]benzene is FC(F)=C(c1ccc(-c2ccccc2Cl)cc1)C(F)(F)F.
What is the InChIKey of 1-chloro-2-[4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)phenyl]benzene?
The InChIKey is VMXSHOWGFDSCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF5/c16-12-4-2-1-3-11(12)9-5-7-10(8-6-9)13(14(17)18)15(19,20)21/h1-8H.
What are the key properties of 1-chloro-2-[4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)phenyl]benzene?
1-chloro-2-[4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)phenyl]benzene has a molecular weight of 318.67 g/mol, XLogP of 6.18, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)phenyl]benzene is sourced from PubChem (CID 71393992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).