1-chloro-2-[chloro-(3,5-dichlorophenyl)methyl]-5-fluoro-4-methylbenzene

C14H9Cl4F — CID 81050504

IUPAC1-chloro-2-[chloro-(3,5-dichlorophenyl)methyl]-5-fluoro-4-methylbenzene
SMILESCc1cc(C(Cl)c2cc(Cl)cc(Cl)c2)c(Cl)cc1F
InChIInChI=1S/C14H9Cl4F/c1-7-2-11(12(17)6-13(7)19)14(18)8-3-9(15)5-10(16)4-8/h2-6,14H,1H3
InChIKeyQAPMMWJGKRECDK-UHFFFAOYSA-N
MW338.04 g/mol
LogP6.42
Rot. Bonds2

About 1-chloro-2-[chloro-(3,5-dichlorophenyl)methyl]-5-fluoro-4-methylbenzene

1-chloro-2-[chloro-(3,5-dichlorophenyl)methyl]-5-fluoro-4-methylbenzene (PubChem CID 81050504) has the molecular formula C14H9Cl4F and a molecular weight of 338.04 g/mol. Its IUPAC name is 1-chloro-2-[chloro-(3,5-dichlorophenyl)methyl]-5-fluoro-4-methylbenzene.

Molecular Properties

Compound Name1-chloro-2-[chloro-(3,5-dichlorophenyl)methyl]-5-fluoro-4-methylbenzene
PubChem CID81050504
Molecular FormulaC14H9Cl4F
Molecular Weight338.04 g/mol
Exact Mass335.94
IUPAC Name1-chloro-2-[chloro-(3,5-dichlorophenyl)methyl]-5-fluoro-4-methylbenzene
SMILESCc1cc(C(Cl)c2cc(Cl)cc(Cl)c2)c(Cl)cc1F
InChIInChI=1S/C14H9Cl4F/c1-7-2-11(12(17)6-13(7)19)14(18)8-3-9(15)5-10(16)4-8/h2-6,14H,1H3
InChIKeyQAPMMWJGKRECDK-UHFFFAOYSA-N
XLogP6.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.04
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-chloro-2-[chloro-(3,5-dichlorophenyl)methyl]-5-fluoro-4-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

1-chloro-2-[chloro-(3-chloro-4-methylphenyl)methyl]-5-fluoro-4-methylbenzene
CID 81050182
1-[(3-bromo-5-chlorophenyl)-chloromethyl]-2,5-difluoro-4-methylbenzene
CID 107959015
1-chloro-2-[chloro-(4-chloro-2-methoxyphenyl)methyl]-5-fluoro-4-methylbenzene
CID 81051129
1-chloro-5-fluoro-4-methyl-2-propan-2-ylbenzene
CID 59135078
1-[chloro-(3,5-dichlorophenyl)methyl]-2,4,5-trifluorobenzene
CID 103304052
1-[chloro-(3-chlorophenyl)methyl]-2,4-difluoro-5-methylbenzene
CID 79731389
1-chloro-2-[chloro-(2,4-dimethylphenyl)methyl]-5-fluoro-4-methylbenzene
CID 81050811
1-(2-chloro-4-fluoro-5-methylphenyl)-1-(3-chloro-5-methylphenyl)-N-methylmethanamine
CID 81323089
1-chloro-2-[chloro-(4-chlorophenyl)methyl]-4,5-dimethylbenzene
CID 113319612
1-[chloro-(3,5-dibromophenyl)methyl]-2,4-difluoro-5-methylbenzene
CID 114023654
1-chloro-2-[chloro-(2,3-dimethylphenyl)methyl]-5-fluoro-4-methylbenzene
CID 81050426
1,3-dichloro-5-[chloro-(2,4-dichlorophenyl)methyl]benzene
CID 63444209

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[chloro-(3,5-dichlorophenyl)methyl]-5-fluoro-4-methylbenzene?
The IUPAC name of 1-chloro-2-[chloro-(3,5-dichlorophenyl)methyl]-5-fluoro-4-methylbenzene (CID 81050504) is 1-chloro-2-[chloro-(3,5-dichlorophenyl)methyl]-5-fluoro-4-methylbenzene.
What is the SMILES notation for 1-chloro-2-[chloro-(3,5-dichlorophenyl)methyl]-5-fluoro-4-methylbenzene?
The canonical SMILES for 1-chloro-2-[chloro-(3,5-dichlorophenyl)methyl]-5-fluoro-4-methylbenzene is Cc1cc(C(Cl)c2cc(Cl)cc(Cl)c2)c(Cl)cc1F.
What is the InChIKey of 1-chloro-2-[chloro-(3,5-dichlorophenyl)methyl]-5-fluoro-4-methylbenzene?
The InChIKey is QAPMMWJGKRECDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl4F/c1-7-2-11(12(17)6-13(7)19)14(18)8-3-9(15)5-10(16)4-8/h2-6,14H,1H3.
What are the key properties of 1-chloro-2-[chloro-(3,5-dichlorophenyl)methyl]-5-fluoro-4-methylbenzene?
1-chloro-2-[chloro-(3,5-dichlorophenyl)methyl]-5-fluoro-4-methylbenzene has a molecular weight of 338.04 g/mol, XLogP of 6.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[chloro-(3,5-dichlorophenyl)methyl]-5-fluoro-4-methylbenzene is sourced from PubChem (CID 81050504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).