1-chloro-2-fluoro-3-methylbenzene

C7H6ClF — CID 522828

IUPAC1-chloro-2-fluoro-3-methylbenzene
SMILESCc1cccc(Cl)c1F
InChIInChI=1S/C7H6ClF/c1-5-3-2-4-6(8)7(5)9/h2-4H,1H3
InChIKeyLHPJOUKIBAEPMW-UHFFFAOYSA-N
MW144.58 g/mol
LogP2.79
Rot. Bonds

About 1-chloro-2-fluoro-3-methylbenzene

1-chloro-2-fluoro-3-methylbenzene (PubChem CID 522828) has the molecular formula C7H6ClF and a molecular weight of 144.58 g/mol. Its IUPAC name is 1-chloro-2-fluoro-3-methylbenzene.

Molecular Properties

Compound Name1-chloro-2-fluoro-3-methylbenzene
PubChem CID522828
Molecular FormulaC7H6ClF
Molecular Weight144.58 g/mol
Exact Mass144.01
IUPAC Name1-chloro-2-fluoro-3-methylbenzene
SMILESCc1cccc(Cl)c1F
InChIInChI=1S/C7H6ClF/c1-5-3-2-4-6(8)7(5)9/h2-4H,1H3
InChIKeyLHPJOUKIBAEPMW-UHFFFAOYSA-N
XLogP2.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.58
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-chloro-2-fluoro-3-methylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-fluoro-3-methylbenzene?
The IUPAC name of 1-chloro-2-fluoro-3-methylbenzene (CID 522828) is 1-chloro-2-fluoro-3-methylbenzene.
What is the SMILES notation for 1-chloro-2-fluoro-3-methylbenzene?
The canonical SMILES for 1-chloro-2-fluoro-3-methylbenzene is Cc1cccc(Cl)c1F.
What is the InChIKey of 1-chloro-2-fluoro-3-methylbenzene?
The InChIKey is LHPJOUKIBAEPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF/c1-5-3-2-4-6(8)7(5)9/h2-4H,1H3.
What are the key properties of 1-chloro-2-fluoro-3-methylbenzene?
1-chloro-2-fluoro-3-methylbenzene has a molecular weight of 144.58 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-fluoro-3-methylbenzene is sourced from PubChem (CID 522828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).