2,4-dichloro-1-[3-chloro-2-(difluoromethyl)phenyl]benzene

C13H7Cl3F2 — CID 134625949

IUPAC2,4-dichloro-1-[3-chloro-2-(difluoromethyl)phenyl]benzene
SMILESFC(F)c1c(Cl)cccc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H7Cl3F2/c14-7-4-5-8(11(16)6-7)9-2-1-3-10(15)12(9)13(17)18/h1-6,13H
InChIKeyREXDBUOCDWYENC-UHFFFAOYSA-N
MW307.55 g/mol
LogP6.25
Rot. Bonds2

About 2,4-dichloro-1-[3-chloro-2-(difluoromethyl)phenyl]benzene

2,4-dichloro-1-[3-chloro-2-(difluoromethyl)phenyl]benzene (PubChem CID 134625949) has the molecular formula C13H7Cl3F2 and a molecular weight of 307.55 g/mol. Its IUPAC name is 2,4-dichloro-1-[3-chloro-2-(difluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name2,4-dichloro-1-[3-chloro-2-(difluoromethyl)phenyl]benzene
PubChem CID134625949
Molecular FormulaC13H7Cl3F2
Molecular Weight307.55 g/mol
Exact Mass305.96
IUPAC Name2,4-dichloro-1-[3-chloro-2-(difluoromethyl)phenyl]benzene
SMILESFC(F)c1c(Cl)cccc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H7Cl3F2/c14-7-4-5-8(11(16)6-7)9-2-1-3-10(15)12(9)13(17)18/h1-6,13H
InChIKeyREXDBUOCDWYENC-UHFFFAOYSA-N
XLogP6.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.55
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,4-dichloro-1-[3-chloro-2-(difluoromethyl)phenyl]benzene 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

1,2,3-trichloro-5-[3-chloro-2-(difluoromethyl)phenyl]benzene
CID 118843076
1,2-dichloro-4-[3-chloro-2-(difluoromethyl)phenyl]benzene
CID 134625952
2,4-dichloro-1-[3-fluoro-2-(trifluoromethyl)phenyl]benzene
CID 119002759
2,4-dichloro-1-[2-chloro-3-(trifluoromethyl)phenyl]benzene
CID 119002255
1-[2-chloro-4-(difluoromethyl)phenyl]-2,3-difluorobenzene
CID 119023338
2-(2,4-dichlorophenyl)-6-fluorobenzoyl chloride
CID 119006979
2,4-dichloro-1-(2-propan-2-ylphenyl)benzene
CID 54387029
2,4-dichloro-1-(2-methylsulfanylphenyl)benzene
CID 118990225
1-(2,4-dichlorophenyl)-3-[3-(2,4-dichlorophenyl)-2-fluorophenyl]sulfonyl-2-fluorobenzene
CID 87132291
3-(2,4-dichlorophenyl)-2-fluorobenzonitrile
CID 134617900
3-(2,4-dichlorophenyl)-2-fluorobenzoyl chloride
CID 134617901
2-[2-(2,4-dichlorophenyl)-6-fluorophenyl]acetonitrile
CID 118818713

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-[3-chloro-2-(difluoromethyl)phenyl]benzene?
The IUPAC name of 2,4-dichloro-1-[3-chloro-2-(difluoromethyl)phenyl]benzene (CID 134625949) is 2,4-dichloro-1-[3-chloro-2-(difluoromethyl)phenyl]benzene.
What is the SMILES notation for 2,4-dichloro-1-[3-chloro-2-(difluoromethyl)phenyl]benzene?
The canonical SMILES for 2,4-dichloro-1-[3-chloro-2-(difluoromethyl)phenyl]benzene is FC(F)c1c(Cl)cccc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-1-[3-chloro-2-(difluoromethyl)phenyl]benzene?
The InChIKey is REXDBUOCDWYENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3F2/c14-7-4-5-8(11(16)6-7)9-2-1-3-10(15)12(9)13(17)18/h1-6,13H.
What are the key properties of 2,4-dichloro-1-[3-chloro-2-(difluoromethyl)phenyl]benzene?
2,4-dichloro-1-[3-chloro-2-(difluoromethyl)phenyl]benzene has a molecular weight of 307.55 g/mol, XLogP of 6.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-[3-chloro-2-(difluoromethyl)phenyl]benzene is sourced from PubChem (CID 134625949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).