4-chloro-2-fluoro-1-methylbenzene;4-fluoro-1,2-dimethylbenzene

C15H15ClF2 — CID 143759785

IUPAC4-chloro-2-fluoro-1-methylbenzene;4-fluoro-1,2-dimethylbenzene
SMILESCc1ccc(Cl)cc1F.Cc1ccc(F)cc1C
InChIInChI=1S/C8H9F.C7H6ClF/c1-6-3-4-8(9)5-7(6)2;1-5-2-3-6(8)4-7(5)9/h3-5H,1-2H3;2-4H,1H3
InChIKeyIQVZBPFQOIYNLI-UHFFFAOYSA-N
MW268.73 g/mol
LogP5.23
Rot. Bonds

About 4-chloro-2-fluoro-1-methylbenzene;4-fluoro-1,2-dimethylbenzene

4-chloro-2-fluoro-1-methylbenzene;4-fluoro-1,2-dimethylbenzene (PubChem CID 143759785) has the molecular formula C15H15ClF2 and a molecular weight of 268.73 g/mol. Its IUPAC name is 4-chloro-2-fluoro-1-methylbenzene;4-fluoro-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-chloro-2-fluoro-1-methylbenzene;4-fluoro-1,2-dimethylbenzene
PubChem CID143759785
Molecular FormulaC15H15ClF2
Molecular Weight268.73 g/mol
Exact Mass268.08
IUPAC Name4-chloro-2-fluoro-1-methylbenzene;4-fluoro-1,2-dimethylbenzene
SMILESCc1ccc(Cl)cc1F.Cc1ccc(F)cc1C
InChIInChI=1S/C8H9F.C7H6ClF/c1-6-3-4-8(9)5-7(6)2;1-5-2-3-6(8)4-7(5)9/h3-5H,1-2H3;2-4H,1H3
InChIKeyIQVZBPFQOIYNLI-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.73
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-chloro-2-fluoro-1-methylbenzene;4-fluoro-1,2-dimethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-difluoro-1-methylbenzene;hydrobromide
CID 174767043
2-(5-chloro-2-methylphenyl)-4-fluoro-1-methylbenzene
CID 129059245
1,4-difluoro-2-methylbenzene;1,2,4-trimethylbenzene
CID 143291737
(4-chloro-2-fluorophenyl)-(4-fluoro-2-methylphenyl)methanone
CID 55181742
1,4-dichloro-2-(5-fluoro-2-methylphenyl)benzene
CID 118990356
4-chloro-2-(difluoromethyl)-1-methylbenzene;1-(difluoromethyl)-4-fluoro-2-methylbenzene;ethane
CID 143887999
5-chloro-2-(5-fluoro-2-methylphenyl)aniline
CID 81274733
bis(1-ethyl-4-fluorobenzene);4-fluoro-1,2-dimethylbenzene
CID 143106792
1-[chloro-(5-chloro-2-methylphenyl)methyl]-2,4-difluorobenzene
CID 82890318
2,4-dichloro-1-[chloro-(5-fluoro-2-methylphenyl)methyl]benzene
CID 55198991
2-fluoro-1,4-dimethylbenzene;1-fluoro-4-methylbenzene
CID 159574523
2-(4-chloro-2-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanamine
CID 114855471

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-1-methylbenzene;4-fluoro-1,2-dimethylbenzene?
The IUPAC name of 4-chloro-2-fluoro-1-methylbenzene;4-fluoro-1,2-dimethylbenzene (CID 143759785) is 4-chloro-2-fluoro-1-methylbenzene;4-fluoro-1,2-dimethylbenzene.
What is the SMILES notation for 4-chloro-2-fluoro-1-methylbenzene;4-fluoro-1,2-dimethylbenzene?
The canonical SMILES for 4-chloro-2-fluoro-1-methylbenzene;4-fluoro-1,2-dimethylbenzene is Cc1ccc(Cl)cc1F.Cc1ccc(F)cc1C.
What is the InChIKey of 4-chloro-2-fluoro-1-methylbenzene;4-fluoro-1,2-dimethylbenzene?
The InChIKey is IQVZBPFQOIYNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F.C7H6ClF/c1-6-3-4-8(9)5-7(6)2;1-5-2-3-6(8)4-7(5)9/h3-5H,1-2H3;2-4H,1H3.
What are the key properties of 4-chloro-2-fluoro-1-methylbenzene;4-fluoro-1,2-dimethylbenzene?
4-chloro-2-fluoro-1-methylbenzene;4-fluoro-1,2-dimethylbenzene has a molecular weight of 268.73 g/mol, XLogP of 5.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-1-methylbenzene;4-fluoro-1,2-dimethylbenzene is sourced from PubChem (CID 143759785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).