1-[chloro-(3,4-difluorophenyl)methyl]-2,3-dimethylbenzene

C15H13ClF2 — CID 63431750

IUPAC1-[chloro-(3,4-difluorophenyl)methyl]-2,3-dimethylbenzene
SMILESCc1cccc(C(Cl)c2ccc(F)c(F)c2)c1C
InChIInChI=1S/C15H13ClF2/c1-9-4-3-5-12(10(9)2)15(16)11-6-7-13(17)14(18)8-11/h3-8,15H,1-2H3
InChIKeyWQEZILKOIGSMNH-UHFFFAOYSA-N
MW266.72 g/mol
LogP4.91
Rot. Bonds2

About 1-[chloro-(3,4-difluorophenyl)methyl]-2,3-dimethylbenzene

1-[chloro-(3,4-difluorophenyl)methyl]-2,3-dimethylbenzene (PubChem CID 63431750) has the molecular formula C15H13ClF2 and a molecular weight of 266.72 g/mol. Its IUPAC name is 1-[chloro-(3,4-difluorophenyl)methyl]-2,3-dimethylbenzene.

Molecular Properties

Compound Name1-[chloro-(3,4-difluorophenyl)methyl]-2,3-dimethylbenzene
PubChem CID63431750
Molecular FormulaC15H13ClF2
Molecular Weight266.72 g/mol
Exact Mass266.07
IUPAC Name1-[chloro-(3,4-difluorophenyl)methyl]-2,3-dimethylbenzene
SMILESCc1cccc(C(Cl)c2ccc(F)c(F)c2)c1C
InChIInChI=1S/C15H13ClF2/c1-9-4-3-5-12(10(9)2)15(16)11-6-7-13(17)14(18)8-11/h3-8,15H,1-2H3
InChIKeyWQEZILKOIGSMNH-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.72
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3,4-difluorophenyl)-(2,3-dimethylphenyl)methanol
CID 61088298
1-[chloro-(4-propan-2-ylphenyl)methyl]-2,3-dimethylbenzene
CID 63435435
4-[chloro-(3,4-difluorophenyl)methyl]-1-fluoro-2-methylbenzene
CID 63431448
1-[chloro(phenyl)methyl]-2,3-dimethylbenzene
CID 13105628
2-[chloro-(3,4-difluorophenyl)methyl]-4-fluoro-1-methylbenzene
CID 63431490
1-[chloro-(3,4-difluorophenyl)methyl]-2,3,4,5,6-pentamethylbenzene
CID 63429317
2-[chloro-(2,3-dimethylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 106879809
4-[chloro-(2-fluorophenyl)methyl]-1-fluoro-2-methylbenzene
CID 79747229
1-chloro-2-[chloro-(2,3-dimethylphenyl)methyl]-5-fluoro-4-methylbenzene
CID 81050426
6-[chloro-(2,3-dimethylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 63434057
(3,4-difluorophenyl)-(2-fluoro-3-methylphenyl)methanol
CID 81477927
1-[chloro-(3,4-difluorophenyl)methyl]-4,5-dimethoxy-2-methylbenzene
CID 61085061

Frequently Asked Questions

What is the IUPAC name of 1-[chloro-(3,4-difluorophenyl)methyl]-2,3-dimethylbenzene?
The IUPAC name of 1-[chloro-(3,4-difluorophenyl)methyl]-2,3-dimethylbenzene (CID 63431750) is 1-[chloro-(3,4-difluorophenyl)methyl]-2,3-dimethylbenzene.
What is the SMILES notation for 1-[chloro-(3,4-difluorophenyl)methyl]-2,3-dimethylbenzene?
The canonical SMILES for 1-[chloro-(3,4-difluorophenyl)methyl]-2,3-dimethylbenzene is Cc1cccc(C(Cl)c2ccc(F)c(F)c2)c1C.
What is the InChIKey of 1-[chloro-(3,4-difluorophenyl)methyl]-2,3-dimethylbenzene?
The InChIKey is WQEZILKOIGSMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2/c1-9-4-3-5-12(10(9)2)15(16)11-6-7-13(17)14(18)8-11/h3-8,15H,1-2H3.
What are the key properties of 1-[chloro-(3,4-difluorophenyl)methyl]-2,3-dimethylbenzene?
1-[chloro-(3,4-difluorophenyl)methyl]-2,3-dimethylbenzene has a molecular weight of 266.72 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro-(3,4-difluorophenyl)methyl]-2,3-dimethylbenzene is sourced from PubChem (CID 63431750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).