1-chloro-3-fluoro-2-(4-fluorophenyl)benzene

C12H7ClF2 — CID 57094846

IUPAC1-chloro-3-fluoro-2-(4-fluorophenyl)benzene
SMILESFc1ccc(-c2c(F)cccc2Cl)cc1
InChIInChI=1S/C12H7ClF2/c13-10-2-1-3-11(15)12(10)8-4-6-9(14)7-5-8/h1-7H
InChIKeyAKGGBUWIEMZIDC-UHFFFAOYSA-N
MW224.64 g/mol
LogP4.29
Rot. Bonds1

About 1-chloro-3-fluoro-2-(4-fluorophenyl)benzene

1-chloro-3-fluoro-2-(4-fluorophenyl)benzene (PubChem CID 57094846) has the molecular formula C12H7ClF2 and a molecular weight of 224.64 g/mol. Its IUPAC name is 1-chloro-3-fluoro-2-(4-fluorophenyl)benzene.

Molecular Properties

Compound Name1-chloro-3-fluoro-2-(4-fluorophenyl)benzene
PubChem CID57094846
Molecular FormulaC12H7ClF2
Molecular Weight224.64 g/mol
Exact Mass224.02
IUPAC Name1-chloro-3-fluoro-2-(4-fluorophenyl)benzene
SMILESFc1ccc(-c2c(F)cccc2Cl)cc1
InChIInChI=1S/C12H7ClF2/c13-10-2-1-3-11(15)12(10)8-4-6-9(14)7-5-8/h1-7H
InChIKeyAKGGBUWIEMZIDC-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.64
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-fluoro-2-(4-fluorophenyl)benzene?
The IUPAC name of 1-chloro-3-fluoro-2-(4-fluorophenyl)benzene (CID 57094846) is 1-chloro-3-fluoro-2-(4-fluorophenyl)benzene.
What is the SMILES notation for 1-chloro-3-fluoro-2-(4-fluorophenyl)benzene?
The canonical SMILES for 1-chloro-3-fluoro-2-(4-fluorophenyl)benzene is Fc1ccc(-c2c(F)cccc2Cl)cc1.
What is the InChIKey of 1-chloro-3-fluoro-2-(4-fluorophenyl)benzene?
The InChIKey is AKGGBUWIEMZIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF2/c13-10-2-1-3-11(15)12(10)8-4-6-9(14)7-5-8/h1-7H.
What are the key properties of 1-chloro-3-fluoro-2-(4-fluorophenyl)benzene?
1-chloro-3-fluoro-2-(4-fluorophenyl)benzene has a molecular weight of 224.64 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-fluoro-2-(4-fluorophenyl)benzene is sourced from PubChem (CID 57094846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).