2-chloro-1-fluoro-4-methylbenzene

C7H6ClF — CID 2736589

IUPAC2-chloro-1-fluoro-4-methylbenzene
SMILESCc1ccc(F)c(Cl)c1
InChIInChI=1S/C7H6ClF/c1-5-2-3-7(9)6(8)4-5/h2-4H,1H3
InChIKeyIKNQPNLSEBWZKX-UHFFFAOYSA-N
MW144.58 g/mol
LogP2.79
Rot. Bonds

About 2-chloro-1-fluoro-4-methylbenzene

2-chloro-1-fluoro-4-methylbenzene (PubChem CID 2736589) has the molecular formula C7H6ClF and a molecular weight of 144.58 g/mol. Its IUPAC name is 2-chloro-1-fluoro-4-methylbenzene.

Molecular Properties

Compound Name2-chloro-1-fluoro-4-methylbenzene
PubChem CID2736589
Molecular FormulaC7H6ClF
Molecular Weight144.58 g/mol
Exact Mass144.01
IUPAC Name2-chloro-1-fluoro-4-methylbenzene
SMILESCc1ccc(F)c(Cl)c1
InChIInChI=1S/C7H6ClF/c1-5-2-3-7(9)6(8)4-5/h2-4H,1H3
InChIKeyIKNQPNLSEBWZKX-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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-fluoro-4-methylbenzene?
The IUPAC name of 2-chloro-1-fluoro-4-methylbenzene (CID 2736589) is 2-chloro-1-fluoro-4-methylbenzene.
What is the SMILES notation for 2-chloro-1-fluoro-4-methylbenzene?
The canonical SMILES for 2-chloro-1-fluoro-4-methylbenzene is Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-chloro-1-fluoro-4-methylbenzene?
The InChIKey is IKNQPNLSEBWZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF/c1-5-2-3-7(9)6(8)4-5/h2-4H,1H3.
What are the key properties of 2-chloro-1-fluoro-4-methylbenzene?
2-chloro-1-fluoro-4-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 2-chloro-1-fluoro-4-methylbenzene is sourced from PubChem (CID 2736589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).