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

C8H8ClF — CID 11744901

IUPAC2-chloro-5-fluoro-1,3-dimethylbenzene
SMILESCc1cc(F)cc(C)c1Cl
InChIInChI=1S/C8H8ClF/c1-5-3-7(10)4-6(2)8(5)9/h3-4H,1-2H3
InChIKeyMVJOCJGXPDHQEN-UHFFFAOYSA-N
MW158.60 g/mol
LogP3.10
Rot. Bonds

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

2-chloro-5-fluoro-1,3-dimethylbenzene (PubChem CID 11744901) has the molecular formula C8H8ClF and a molecular weight of 158.60 g/mol. Its IUPAC name is 2-chloro-5-fluoro-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-chloro-5-fluoro-1,3-dimethylbenzene
PubChem CID11744901
Molecular FormulaC8H8ClF
Molecular Weight158.60 g/mol
Exact Mass158.03
IUPAC Name2-chloro-5-fluoro-1,3-dimethylbenzene
SMILESCc1cc(F)cc(C)c1Cl
InChIInChI=1S/C8H8ClF/c1-5-3-7(10)4-6(2)8(5)9/h3-4H,1-2H3
InChIKeyMVJOCJGXPDHQEN-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 2-chloro-5-fluoro-1,3-dimethylbenzene?
The IUPAC name of 2-chloro-5-fluoro-1,3-dimethylbenzene (CID 11744901) is 2-chloro-5-fluoro-1,3-dimethylbenzene.
What is the SMILES notation for 2-chloro-5-fluoro-1,3-dimethylbenzene?
The canonical SMILES for 2-chloro-5-fluoro-1,3-dimethylbenzene is Cc1cc(F)cc(C)c1Cl.
What is the InChIKey of 2-chloro-5-fluoro-1,3-dimethylbenzene?
The InChIKey is MVJOCJGXPDHQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF/c1-5-3-7(10)4-6(2)8(5)9/h3-4H,1-2H3.
What are the key properties of 2-chloro-5-fluoro-1,3-dimethylbenzene?
2-chloro-5-fluoro-1,3-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 2-chloro-5-fluoro-1,3-dimethylbenzene is sourced from PubChem (CID 11744901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).