1-chloro-2-fluoro-4-methylbenzene

C7H6ClF — CID 2736590

IUPAC1-chloro-2-fluoro-4-methylbenzene
SMILESCc1ccc(Cl)c(F)c1
InChIInChI=1S/C7H6ClF/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H3
InChIKeyMHXNHUSVBYUTJL-UHFFFAOYSA-N
MW144.58 g/mol
LogP2.79
Rot. Bonds

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

1-chloro-2-fluoro-4-methylbenzene (PubChem CID 2736590) has the molecular formula C7H6ClF and a molecular weight of 144.58 g/mol. Its IUPAC name is 1-chloro-2-fluoro-4-methylbenzene.

Molecular Properties

Compound Name1-chloro-2-fluoro-4-methylbenzene
PubChem CID2736590
Molecular FormulaC7H6ClF
Molecular Weight144.58 g/mol
Exact Mass144.01
IUPAC Name1-chloro-2-fluoro-4-methylbenzene
SMILESCc1ccc(Cl)c(F)c1
InChIInChI=1S/C7H6ClF/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H3
InChIKeyMHXNHUSVBYUTJL-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 1-chloro-2-fluoro-4-methylbenzene?
The IUPAC name of 1-chloro-2-fluoro-4-methylbenzene (CID 2736590) is 1-chloro-2-fluoro-4-methylbenzene.
What is the SMILES notation for 1-chloro-2-fluoro-4-methylbenzene?
The canonical SMILES for 1-chloro-2-fluoro-4-methylbenzene is Cc1ccc(Cl)c(F)c1.
What is the InChIKey of 1-chloro-2-fluoro-4-methylbenzene?
The InChIKey is MHXNHUSVBYUTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H3.
What are the key properties of 1-chloro-2-fluoro-4-methylbenzene?
1-chloro-2-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 1-chloro-2-fluoro-4-methylbenzene is sourced from PubChem (CID 2736590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).