2-chloro-4-ethenyl-1-fluorobenzene

C8H6ClF — CID 19956470

IUPAC2-chloro-4-ethenyl-1-fluorobenzene
SMILESC=Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C8H6ClF/c1-2-6-3-4-8(10)7(9)5-6/h2-5H,1H2
InChIKeyYKEAXNQRVSFQSI-UHFFFAOYSA-N
MW156.59 g/mol
LogP3.12
Rot. Bonds1

About 2-chloro-4-ethenyl-1-fluorobenzene

2-chloro-4-ethenyl-1-fluorobenzene (PubChem CID 19956470) has the molecular formula C8H6ClF and a molecular weight of 156.59 g/mol. Its IUPAC name is 2-chloro-4-ethenyl-1-fluorobenzene.

Molecular Properties

Compound Name2-chloro-4-ethenyl-1-fluorobenzene
PubChem CID19956470
Molecular FormulaC8H6ClF
Molecular Weight156.59 g/mol
Exact Mass156.01
IUPAC Name2-chloro-4-ethenyl-1-fluorobenzene
SMILESC=Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C8H6ClF/c1-2-6-3-4-8(10)7(9)5-6/h2-5H,1H2
InChIKeyYKEAXNQRVSFQSI-UHFFFAOYSA-N
XLogP3.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.59
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethenyl-1-fluorobenzene?
The IUPAC name of 2-chloro-4-ethenyl-1-fluorobenzene (CID 19956470) is 2-chloro-4-ethenyl-1-fluorobenzene.
What is the SMILES notation for 2-chloro-4-ethenyl-1-fluorobenzene?
The canonical SMILES for 2-chloro-4-ethenyl-1-fluorobenzene is C=Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-chloro-4-ethenyl-1-fluorobenzene?
The InChIKey is YKEAXNQRVSFQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF/c1-2-6-3-4-8(10)7(9)5-6/h2-5H,1H2.
What are the key properties of 2-chloro-4-ethenyl-1-fluorobenzene?
2-chloro-4-ethenyl-1-fluorobenzene has a molecular weight of 156.59 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethenyl-1-fluorobenzene is sourced from PubChem (CID 19956470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).