1-chloro-2-fluoro-3,5-dimethylbenzene

C8H8ClF — CID 59146239

IUPAC1-chloro-2-fluoro-3,5-dimethylbenzene
SMILESCc1cc(C)c(F)c(Cl)c1
InChIInChI=1S/C8H8ClF/c1-5-3-6(2)8(10)7(9)4-5/h3-4H,1-2H3
InChIKeySCNOFOCRKBGQBA-UHFFFAOYSA-N
MW158.60 g/mol
LogP3.10
Rot. Bonds

About 1-chloro-2-fluoro-3,5-dimethylbenzene

1-chloro-2-fluoro-3,5-dimethylbenzene (PubChem CID 59146239) has the molecular formula C8H8ClF and a molecular weight of 158.60 g/mol. Its IUPAC name is 1-chloro-2-fluoro-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-chloro-2-fluoro-3,5-dimethylbenzene
PubChem CID59146239
Molecular FormulaC8H8ClF
Molecular Weight158.60 g/mol
Exact Mass158.03
IUPAC Name1-chloro-2-fluoro-3,5-dimethylbenzene
SMILESCc1cc(C)c(F)c(Cl)c1
InChIInChI=1S/C8H8ClF/c1-5-3-6(2)8(10)7(9)4-5/h3-4H,1-2H3
InChIKeySCNOFOCRKBGQBA-UHFFFAOYSA-N
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.60
LogP ≤ 53.10
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-3,5-dimethylbenzene?
The IUPAC name of 1-chloro-2-fluoro-3,5-dimethylbenzene (CID 59146239) is 1-chloro-2-fluoro-3,5-dimethylbenzene.
What is the SMILES notation for 1-chloro-2-fluoro-3,5-dimethylbenzene?
The canonical SMILES for 1-chloro-2-fluoro-3,5-dimethylbenzene is Cc1cc(C)c(F)c(Cl)c1.
What is the InChIKey of 1-chloro-2-fluoro-3,5-dimethylbenzene?
The InChIKey is SCNOFOCRKBGQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF/c1-5-3-6(2)8(10)7(9)4-5/h3-4H,1-2H3.
What are the key properties of 1-chloro-2-fluoro-3,5-dimethylbenzene?
1-chloro-2-fluoro-3,5-dimethylbenzene has a molecular weight of 158.60 g/mol, XLogP of 3.10, 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-3,5-dimethylbenzene is sourced from PubChem (CID 59146239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).