1-[(Z)-2-chloro-1,2-difluoroethenyl]-4-fluorobenzene

C8H4ClF3 — CID 125477253

IUPAC1-[(Z)-2-chloro-1,2-difluoroethenyl]-4-fluorobenzene
SMILESF/C(Cl)=C(/F)c1ccc(F)cc1
InChIInChI=1S/C8H4ClF3/c9-8(12)7(11)5-1-3-6(10)4-2-5/h1-4H/b8-7+
InChIKeyFKWGVERPLMQTBD-BQYQJAHWSA-N
MW192.57 g/mol
LogP3.63
Rot. Bonds1

About 1-[(Z)-2-chloro-1,2-difluoroethenyl]-4-fluorobenzene

1-[(Z)-2-chloro-1,2-difluoroethenyl]-4-fluorobenzene (PubChem CID 125477253) has the molecular formula C8H4ClF3 and a molecular weight of 192.57 g/mol. Its IUPAC name is 1-[(Z)-2-chloro-1,2-difluoroethenyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[(Z)-2-chloro-1,2-difluoroethenyl]-4-fluorobenzene
PubChem CID125477253
Molecular FormulaC8H4ClF3
Molecular Weight192.57 g/mol
Exact Mass192.00
IUPAC Name1-[(Z)-2-chloro-1,2-difluoroethenyl]-4-fluorobenzene
SMILESF/C(Cl)=C(/F)c1ccc(F)cc1
InChIInChI=1S/C8H4ClF3/c9-8(12)7(11)5-1-3-6(10)4-2-5/h1-4H/b8-7+
InChIKeyFKWGVERPLMQTBD-BQYQJAHWSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.57
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-chloro-1,2-difluoroethenyl]-4-fluorobenzene?
The IUPAC name of 1-[(Z)-2-chloro-1,2-difluoroethenyl]-4-fluorobenzene (CID 125477253) is 1-[(Z)-2-chloro-1,2-difluoroethenyl]-4-fluorobenzene.
What is the SMILES notation for 1-[(Z)-2-chloro-1,2-difluoroethenyl]-4-fluorobenzene?
The canonical SMILES for 1-[(Z)-2-chloro-1,2-difluoroethenyl]-4-fluorobenzene is F/C(Cl)=C(/F)c1ccc(F)cc1.
What is the InChIKey of 1-[(Z)-2-chloro-1,2-difluoroethenyl]-4-fluorobenzene?
The InChIKey is FKWGVERPLMQTBD-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H4ClF3/c9-8(12)7(11)5-1-3-6(10)4-2-5/h1-4H/b8-7+.
What are the key properties of 1-[(Z)-2-chloro-1,2-difluoroethenyl]-4-fluorobenzene?
1-[(Z)-2-chloro-1,2-difluoroethenyl]-4-fluorobenzene has a molecular weight of 192.57 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-chloro-1,2-difluoroethenyl]-4-fluorobenzene is sourced from PubChem (CID 125477253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).