4-chloro-1-(4-fluorophenyl)-2-methylbenzene

C13H10ClF — CID 46314507

IUPAC4-chloro-1-(4-fluorophenyl)-2-methylbenzene
SMILESCc1cc(Cl)ccc1-c1ccc(F)cc1
InChIInChI=1S/C13H10ClF/c1-9-8-11(14)4-7-13(9)10-2-5-12(15)6-3-10/h2-8H,1H3
InChIKeyNVFXZTMHKSVVLG-UHFFFAOYSA-N
MW220.67 g/mol
LogP4.45
Rot. Bonds1

About 4-chloro-1-(4-fluorophenyl)-2-methylbenzene

4-chloro-1-(4-fluorophenyl)-2-methylbenzene (PubChem CID 46314507) has the molecular formula C13H10ClF and a molecular weight of 220.67 g/mol. Its IUPAC name is 4-chloro-1-(4-fluorophenyl)-2-methylbenzene.

Molecular Properties

Compound Name4-chloro-1-(4-fluorophenyl)-2-methylbenzene
PubChem CID46314507
Molecular FormulaC13H10ClF
Molecular Weight220.67 g/mol
Exact Mass220.05
IUPAC Name4-chloro-1-(4-fluorophenyl)-2-methylbenzene
SMILESCc1cc(Cl)ccc1-c1ccc(F)cc1
InChIInChI=1S/C13H10ClF/c1-9-8-11(14)4-7-13(9)10-2-5-12(15)6-3-10/h2-8H,1H3
InChIKeyNVFXZTMHKSVVLG-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.67
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-chloro-1-(4-fluorophenyl)-2-methylbenzene 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

sodium 4-(4-chloro-2-methylphenyl)phenolate
CID 174930978
4-chloro-2-methyl-1-(4-propan-2-ylphenyl)benzene
CID 71243768
4-bromo-1-(4-fluorophenyl)-2-methylbenzene
CID 67156128
2-chloro-4-(4-chloro-2-methylphenyl)-1-methylbenzene
CID 70919846
2-bromo-4-chloro-1-(4-fluorophenyl)benzene
CID 168802728
4-(4-chlorophenyl)-2-fluoro-1-(4-fluorophenyl)benzene
CID 176837829
4-(4-chloro-2-methylphenyl)-2-methylaniline
CID 172652420
4-(4-fluorophenyl)-3-methylbenzenesulfonyl chloride
CID 82307548
2-(5-chloro-2-methylphenyl)-4-fluoro-1-methylbenzene
CID 129059245
4-chloro-2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]benzene;ethane
CID 143948074
2-[4-(4-fluorophenyl)-3-methylphenoxy]ethanamine
CID 163407569
1-tert-butyl-2-chloro-4-(4-chloro-2-methylphenyl)benzene
CID 71242096

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(4-fluorophenyl)-2-methylbenzene?
The IUPAC name of 4-chloro-1-(4-fluorophenyl)-2-methylbenzene (CID 46314507) is 4-chloro-1-(4-fluorophenyl)-2-methylbenzene.
What is the SMILES notation for 4-chloro-1-(4-fluorophenyl)-2-methylbenzene?
The canonical SMILES for 4-chloro-1-(4-fluorophenyl)-2-methylbenzene is Cc1cc(Cl)ccc1-c1ccc(F)cc1.
What is the InChIKey of 4-chloro-1-(4-fluorophenyl)-2-methylbenzene?
The InChIKey is NVFXZTMHKSVVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF/c1-9-8-11(14)4-7-13(9)10-2-5-12(15)6-3-10/h2-8H,1H3.
What are the key properties of 4-chloro-1-(4-fluorophenyl)-2-methylbenzene?
4-chloro-1-(4-fluorophenyl)-2-methylbenzene has a molecular weight of 220.67 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(4-fluorophenyl)-2-methylbenzene is sourced from PubChem (CID 46314507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).