2-[1-chloro-2-(3-chlorophenyl)ethyl]-1-fluoro-4-methylbenzene

C15H13Cl2F — CID 63543581

IUPAC2-[1-chloro-2-(3-chlorophenyl)ethyl]-1-fluoro-4-methylbenzene
SMILESCc1ccc(F)c(C(Cl)Cc2cccc(Cl)c2)c1
InChIInChI=1S/C15H13Cl2F/c1-10-5-6-15(18)13(7-10)14(17)9-11-3-2-4-12(16)8-11/h2-8,14H,9H2,1H3
InChIKeyLZTQYZSSNXDCPY-UHFFFAOYSA-N
MW283.17 g/mol
LogP5.31
Rot. Bonds3

About 2-[1-chloro-2-(3-chlorophenyl)ethyl]-1-fluoro-4-methylbenzene

2-[1-chloro-2-(3-chlorophenyl)ethyl]-1-fluoro-4-methylbenzene (PubChem CID 63543581) has the molecular formula C15H13Cl2F and a molecular weight of 283.17 g/mol. Its IUPAC name is 2-[1-chloro-2-(3-chlorophenyl)ethyl]-1-fluoro-4-methylbenzene.

Molecular Properties

Compound Name2-[1-chloro-2-(3-chlorophenyl)ethyl]-1-fluoro-4-methylbenzene
PubChem CID63543581
Molecular FormulaC15H13Cl2F
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name2-[1-chloro-2-(3-chlorophenyl)ethyl]-1-fluoro-4-methylbenzene
SMILESCc1ccc(F)c(C(Cl)Cc2cccc(Cl)c2)c1
InChIInChI=1S/C15H13Cl2F/c1-10-5-6-15(18)13(7-10)14(17)9-11-3-2-4-12(16)8-11/h2-8,14H,9H2,1H3
InChIKeyLZTQYZSSNXDCPY-UHFFFAOYSA-N
XLogP5.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.17
LogP ≤ 55.31
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

1-chloro-4-[1-chloro-2-(3-chlorophenyl)ethyl]-2,5-difluorobenzene
CID 82771839
4-chloro-2-[1-chloro-2-(3-methylphenyl)ethyl]-1-methylbenzene
CID 82890883
1-chloro-2-[1-chloro-2-(3-methylphenyl)ethyl]-5-fluoro-4-methylbenzene
CID 81050258
2-bromo-4-chloro-1-[1-chloro-2-(3-methylphenyl)ethyl]benzene
CID 114025132
1,4-dichloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]benzene
CID 63436776
2-[1-chloro-2-(3-methylphenyl)ethyl]-1,3-difluorobenzene
CID 63542188
[2-(3-chlorophenyl)-1-(2,5-dimethylphenyl)ethyl]hydrazine
CID 105194932
1-[1-bromo-2-(3-chlorophenyl)ethyl]-2-chloro-4-fluoro-5-methylbenzene
CID 81050200
(3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62789986
1-chloro-4-[1-chloro-2-(3-methylphenyl)ethyl]naphthalene
CID 79592812
1-chloro-2-[1-chloro-2-(3-chlorophenyl)ethyl]-4,5-dimethoxybenzene
CID 63432908
4-chloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]-1-methoxybenzene
CID 63542483

Frequently Asked Questions

What is the IUPAC name of 2-[1-chloro-2-(3-chlorophenyl)ethyl]-1-fluoro-4-methylbenzene?
The IUPAC name of 2-[1-chloro-2-(3-chlorophenyl)ethyl]-1-fluoro-4-methylbenzene (CID 63543581) is 2-[1-chloro-2-(3-chlorophenyl)ethyl]-1-fluoro-4-methylbenzene.
What is the SMILES notation for 2-[1-chloro-2-(3-chlorophenyl)ethyl]-1-fluoro-4-methylbenzene?
The canonical SMILES for 2-[1-chloro-2-(3-chlorophenyl)ethyl]-1-fluoro-4-methylbenzene is Cc1ccc(F)c(C(Cl)Cc2cccc(Cl)c2)c1.
What is the InChIKey of 2-[1-chloro-2-(3-chlorophenyl)ethyl]-1-fluoro-4-methylbenzene?
The InChIKey is LZTQYZSSNXDCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2F/c1-10-5-6-15(18)13(7-10)14(17)9-11-3-2-4-12(16)8-11/h2-8,14H,9H2,1H3.
What are the key properties of 2-[1-chloro-2-(3-chlorophenyl)ethyl]-1-fluoro-4-methylbenzene?
2-[1-chloro-2-(3-chlorophenyl)ethyl]-1-fluoro-4-methylbenzene has a molecular weight of 283.17 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-chloro-2-(3-chlorophenyl)ethyl]-1-fluoro-4-methylbenzene is sourced from PubChem (CID 63543581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).