1-chloro-2,4-difluoro-5-methylbenzene

C7H5ClF2 — CID 58691509

IUPAC1-chloro-2,4-difluoro-5-methylbenzene
SMILESCc1cc(Cl)c(F)cc1F
InChIInChI=1S/C7H5ClF2/c1-4-2-5(8)7(10)3-6(4)9/h2-3H,1H3
InChIKeyRHLAJEKVHZLEFY-UHFFFAOYSA-N
MW162.57 g/mol
LogP2.93
Rot. Bonds

About 1-chloro-2,4-difluoro-5-methylbenzene

1-chloro-2,4-difluoro-5-methylbenzene (PubChem CID 58691509) has the molecular formula C7H5ClF2 and a molecular weight of 162.57 g/mol. Its IUPAC name is 1-chloro-2,4-difluoro-5-methylbenzene.

Molecular Properties

Compound Name1-chloro-2,4-difluoro-5-methylbenzene
PubChem CID58691509
Molecular FormulaC7H5ClF2
Molecular Weight162.57 g/mol
Exact Mass162.00
IUPAC Name1-chloro-2,4-difluoro-5-methylbenzene
SMILESCc1cc(Cl)c(F)cc1F
InChIInChI=1S/C7H5ClF2/c1-4-2-5(8)7(10)3-6(4)9/h2-3H,1H3
InChIKeyRHLAJEKVHZLEFY-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.57
LogP ≤ 52.93
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-chloro-2,4-difluoro-5-methylbenzene?
The IUPAC name of 1-chloro-2,4-difluoro-5-methylbenzene (CID 58691509) is 1-chloro-2,4-difluoro-5-methylbenzene.
What is the SMILES notation for 1-chloro-2,4-difluoro-5-methylbenzene?
The canonical SMILES for 1-chloro-2,4-difluoro-5-methylbenzene is Cc1cc(Cl)c(F)cc1F.
What is the InChIKey of 1-chloro-2,4-difluoro-5-methylbenzene?
The InChIKey is RHLAJEKVHZLEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2/c1-4-2-5(8)7(10)3-6(4)9/h2-3H,1H3.
What are the key properties of 1-chloro-2,4-difluoro-5-methylbenzene?
1-chloro-2,4-difluoro-5-methylbenzene has a molecular weight of 162.57 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,4-difluoro-5-methylbenzene is sourced from PubChem (CID 58691509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).