1-chloro-3-(2-chloro-4-fluorophenyl)-5-fluorobenzene

C12H6Cl2F2 — CID 173442446

IUPAC1-chloro-3-(2-chloro-4-fluorophenyl)-5-fluorobenzene
SMILESFc1cc(Cl)cc(-c2ccc(F)cc2Cl)c1
InChIInChI=1S/C12H6Cl2F2/c13-8-3-7(4-10(16)5-8)11-2-1-9(15)6-12(11)14/h1-6H
InChIKeyWGIRJDGRHCOOFC-UHFFFAOYSA-N
MW259.08 g/mol
LogP4.94
Rot. Bonds1

About 1-chloro-3-(2-chloro-4-fluorophenyl)-5-fluorobenzene

1-chloro-3-(2-chloro-4-fluorophenyl)-5-fluorobenzene (PubChem CID 173442446) has the molecular formula C12H6Cl2F2 and a molecular weight of 259.08 g/mol. Its IUPAC name is 1-chloro-3-(2-chloro-4-fluorophenyl)-5-fluorobenzene.

Molecular Properties

Compound Name1-chloro-3-(2-chloro-4-fluorophenyl)-5-fluorobenzene
PubChem CID173442446
Molecular FormulaC12H6Cl2F2
Molecular Weight259.08 g/mol
Exact Mass257.98
IUPAC Name1-chloro-3-(2-chloro-4-fluorophenyl)-5-fluorobenzene
SMILESFc1cc(Cl)cc(-c2ccc(F)cc2Cl)c1
InChIInChI=1S/C12H6Cl2F2/c13-8-3-7(4-10(16)5-8)11-2-1-9(15)6-12(11)14/h1-6H
InChIKeyWGIRJDGRHCOOFC-UHFFFAOYSA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.08
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(2-chloro-4-fluorophenyl)-5-fluorobenzene?
The IUPAC name of 1-chloro-3-(2-chloro-4-fluorophenyl)-5-fluorobenzene (CID 173442446) is 1-chloro-3-(2-chloro-4-fluorophenyl)-5-fluorobenzene.
What is the SMILES notation for 1-chloro-3-(2-chloro-4-fluorophenyl)-5-fluorobenzene?
The canonical SMILES for 1-chloro-3-(2-chloro-4-fluorophenyl)-5-fluorobenzene is Fc1cc(Cl)cc(-c2ccc(F)cc2Cl)c1.
What is the InChIKey of 1-chloro-3-(2-chloro-4-fluorophenyl)-5-fluorobenzene?
The InChIKey is WGIRJDGRHCOOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2F2/c13-8-3-7(4-10(16)5-8)11-2-1-9(15)6-12(11)14/h1-6H.
What are the key properties of 1-chloro-3-(2-chloro-4-fluorophenyl)-5-fluorobenzene?
1-chloro-3-(2-chloro-4-fluorophenyl)-5-fluorobenzene has a molecular weight of 259.08 g/mol, XLogP of 4.94, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(2-chloro-4-fluorophenyl)-5-fluorobenzene is sourced from PubChem (CID 173442446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).