1,2-dichloro-4-fluoro-5-methylbenzene

C7H5Cl2F — CID 2774024

IUPAC1,2-dichloro-4-fluoro-5-methylbenzene
SMILESCc1cc(Cl)c(Cl)cc1F
InChIInChI=1S/C7H5Cl2F/c1-4-2-5(8)6(9)3-7(4)10/h2-3H,1H3
InChIKeyKTALPDCZIOJQOW-UHFFFAOYSA-N
MW179.02 g/mol
LogP3.44
Rot. Bonds

About 1,2-dichloro-4-fluoro-5-methylbenzene

1,2-dichloro-4-fluoro-5-methylbenzene (PubChem CID 2774024) has the molecular formula C7H5Cl2F and a molecular weight of 179.02 g/mol. Its IUPAC name is 1,2-dichloro-4-fluoro-5-methylbenzene.

Molecular Properties

Compound Name1,2-dichloro-4-fluoro-5-methylbenzene
PubChem CID2774024
Molecular FormulaC7H5Cl2F
Molecular Weight179.02 g/mol
Exact Mass177.98
IUPAC Name1,2-dichloro-4-fluoro-5-methylbenzene
SMILESCc1cc(Cl)c(Cl)cc1F
InChIInChI=1S/C7H5Cl2F/c1-4-2-5(8)6(9)3-7(4)10/h2-3H,1H3
InChIKeyKTALPDCZIOJQOW-UHFFFAOYSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.02
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-fluoro-5-methylbenzene?
The IUPAC name of 1,2-dichloro-4-fluoro-5-methylbenzene (CID 2774024) is 1,2-dichloro-4-fluoro-5-methylbenzene.
What is the SMILES notation for 1,2-dichloro-4-fluoro-5-methylbenzene?
The canonical SMILES for 1,2-dichloro-4-fluoro-5-methylbenzene is Cc1cc(Cl)c(Cl)cc1F.
What is the InChIKey of 1,2-dichloro-4-fluoro-5-methylbenzene?
The InChIKey is KTALPDCZIOJQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2F/c1-4-2-5(8)6(9)3-7(4)10/h2-3H,1H3.
What are the key properties of 1,2-dichloro-4-fluoro-5-methylbenzene?
1,2-dichloro-4-fluoro-5-methylbenzene has a molecular weight of 179.02 g/mol, XLogP of 3.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-fluoro-5-methylbenzene is sourced from PubChem (CID 2774024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).