1-[chloro-(3-chlorophenyl)methyl]-2,4-difluoro-5-methylbenzene

C14H10Cl2F2 — CID 79731389

IUPAC1-[chloro-(3-chlorophenyl)methyl]-2,4-difluoro-5-methylbenzene
SMILESCc1cc(C(Cl)c2cccc(Cl)c2)c(F)cc1F
InChIInChI=1S/C14H10Cl2F2/c1-8-5-11(13(18)7-12(8)17)14(16)9-3-2-4-10(15)6-9/h2-7,14H,1H3
InChIKeyIAYZABVWOIERTQ-UHFFFAOYSA-N
MW287.14 g/mol
LogP5.25
Rot. Bonds2

About 1-[chloro-(3-chlorophenyl)methyl]-2,4-difluoro-5-methylbenzene

1-[chloro-(3-chlorophenyl)methyl]-2,4-difluoro-5-methylbenzene (PubChem CID 79731389) has the molecular formula C14H10Cl2F2 and a molecular weight of 287.14 g/mol. Its IUPAC name is 1-[chloro-(3-chlorophenyl)methyl]-2,4-difluoro-5-methylbenzene.

Molecular Properties

Compound Name1-[chloro-(3-chlorophenyl)methyl]-2,4-difluoro-5-methylbenzene
PubChem CID79731389
Molecular FormulaC14H10Cl2F2
Molecular Weight287.14 g/mol
Exact Mass286.01
IUPAC Name1-[chloro-(3-chlorophenyl)methyl]-2,4-difluoro-5-methylbenzene
SMILESCc1cc(C(Cl)c2cccc(Cl)c2)c(F)cc1F
InChIInChI=1S/C14H10Cl2F2/c1-8-5-11(13(18)7-12(8)17)14(16)9-3-2-4-10(15)6-9/h2-7,14H,1H3
InChIKeyIAYZABVWOIERTQ-UHFFFAOYSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.14
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[chloro-(3-chlorophenyl)methyl]-2,4-difluoro-5-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-[3-(trifluoromethyl)phenyl]methyl]-2,4-difluoro-5-methylbenzene
CID 79725024
(2-chloro-4-fluoro-5-methylphenyl)-(3-chlorophenyl)methanamine
CID 81045120
1-[(3-bromo-4-methylphenyl)-chloromethyl]-2,4-difluoro-5-methylbenzene
CID 81476007
1,4-dichloro-2-[chloro-(3-chlorophenyl)methyl]benzene
CID 63436332
1-[chloro-(3,5-dibromophenyl)methyl]-2,4-difluoro-5-methylbenzene
CID 114023654
4-[chloro-(2-fluorophenyl)methyl]-1-fluoro-2-methylbenzene
CID 79747229
1-chloro-2-[chloro-(3,5-dichlorophenyl)methyl]-5-fluoro-4-methylbenzene
CID 81050504
1-chloro-2-[chloro-(3-chloro-4-methylphenyl)methyl]-5-fluoro-4-methylbenzene
CID 81050182
1-[chloro-(2-chloro-4-methylphenyl)methyl]-2,4-difluoro-5-methylbenzene
CID 106863202
4-chloro-2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1-fluorobenzene
CID 63434447
1-chloro-2-[chloro-(3-chlorophenyl)methyl]benzene
CID 14417332
1-[(3-bromo-5-chlorophenyl)-chloromethyl]-2,5-difluoro-4-methylbenzene
CID 107959015

Frequently Asked Questions

What is the IUPAC name of 1-[chloro-(3-chlorophenyl)methyl]-2,4-difluoro-5-methylbenzene?
The IUPAC name of 1-[chloro-(3-chlorophenyl)methyl]-2,4-difluoro-5-methylbenzene (CID 79731389) is 1-[chloro-(3-chlorophenyl)methyl]-2,4-difluoro-5-methylbenzene.
What is the SMILES notation for 1-[chloro-(3-chlorophenyl)methyl]-2,4-difluoro-5-methylbenzene?
The canonical SMILES for 1-[chloro-(3-chlorophenyl)methyl]-2,4-difluoro-5-methylbenzene is Cc1cc(C(Cl)c2cccc(Cl)c2)c(F)cc1F.
What is the InChIKey of 1-[chloro-(3-chlorophenyl)methyl]-2,4-difluoro-5-methylbenzene?
The InChIKey is IAYZABVWOIERTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F2/c1-8-5-11(13(18)7-12(8)17)14(16)9-3-2-4-10(15)6-9/h2-7,14H,1H3.
What are the key properties of 1-[chloro-(3-chlorophenyl)methyl]-2,4-difluoro-5-methylbenzene?
1-[chloro-(3-chlorophenyl)methyl]-2,4-difluoro-5-methylbenzene has a molecular weight of 287.14 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro-(3-chlorophenyl)methyl]-2,4-difluoro-5-methylbenzene is sourced from PubChem (CID 79731389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).