2-chloro-4-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-1-fluorobenzene

C16H15Cl2F — CID 82880182

IUPAC2-chloro-4-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-1-fluorobenzene
SMILESCc1ccc(CC(Cl)c2ccc(F)c(Cl)c2)cc1C
InChIInChI=1S/C16H15Cl2F/c1-10-3-4-12(7-11(10)2)8-14(17)13-5-6-16(19)15(18)9-13/h3-7,9,14H,8H2,1-2H3
InChIKeyOGGDAVCCENUKKU-UHFFFAOYSA-N
MW297.20 g/mol
LogP5.62
Rot. Bonds3

About 2-chloro-4-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-1-fluorobenzene

2-chloro-4-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-1-fluorobenzene (PubChem CID 82880182) has the molecular formula C16H15Cl2F and a molecular weight of 297.20 g/mol. Its IUPAC name is 2-chloro-4-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-1-fluorobenzene.

Molecular Properties

Compound Name2-chloro-4-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-1-fluorobenzene
PubChem CID82880182
Molecular FormulaC16H15Cl2F
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name2-chloro-4-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-1-fluorobenzene
SMILESCc1ccc(CC(Cl)c2ccc(F)c(Cl)c2)cc1C
InChIInChI=1S/C16H15Cl2F/c1-10-3-4-12(7-11(10)2)8-14(17)13-5-6-16(19)15(18)9-13/h3-7,9,14H,8H2,1-2H3
InChIKeyOGGDAVCCENUKKU-UHFFFAOYSA-N
XLogP5.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.20
LogP ≤ 55.62
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

4-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-2-fluoro-1-methylbenzene
CID 55224820
1-bromo-2-chloro-4-[1-chloro-2-(3,4-dimethylphenyl)ethyl]benzene
CID 81307831
1-(3-chloro-4-fluorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63418793
2-chloro-4-[1-chloro-2-(3,4-dimethoxyphenyl)ethyl]-1-fluorobenzene
CID 82876049
4-[2-bromo-2-(4-chloro-3-fluorophenyl)ethyl]-1,2-dimethylbenzene
CID 107993381
4-[2-chloro-2-(3,4-diethylphenyl)ethyl]-1,2-dimethylbenzene
CID 115482897
4-(2-chloro-2-phenylethyl)-1,2-dimethylbenzene
CID 50888148
2-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-1,3-difluorobenzene
CID 55225008
4-[1-chloro-2-(4-methylphenyl)ethyl]-2-fluoro-1-methylbenzene
CID 63542159
1-chloro-4-[1-chloro-2-(3,4-difluorophenyl)ethyl]-2-fluorobenzene
CID 107993476
6-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 63431085
4-[2-bromo-2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzene
CID 63437552

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-1-fluorobenzene?
The IUPAC name of 2-chloro-4-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-1-fluorobenzene (CID 82880182) is 2-chloro-4-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-1-fluorobenzene.
What is the SMILES notation for 2-chloro-4-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-1-fluorobenzene?
The canonical SMILES for 2-chloro-4-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-1-fluorobenzene is Cc1ccc(CC(Cl)c2ccc(F)c(Cl)c2)cc1C.
What is the InChIKey of 2-chloro-4-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-1-fluorobenzene?
The InChIKey is OGGDAVCCENUKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2F/c1-10-3-4-12(7-11(10)2)8-14(17)13-5-6-16(19)15(18)9-13/h3-7,9,14H,8H2,1-2H3.
What are the key properties of 2-chloro-4-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-1-fluorobenzene?
2-chloro-4-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-1-fluorobenzene has a molecular weight of 297.20 g/mol, XLogP of 5.62, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-1-fluorobenzene is sourced from PubChem (CID 82880182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).