2-[chloro-(2-chloro-4-fluorophenyl)methyl]-1,3,5-trimethylbenzene

C16H15Cl2F — CID 63431338

IUPAC2-[chloro-(2-chloro-4-fluorophenyl)methyl]-1,3,5-trimethylbenzene
SMILESCc1cc(C)c(C(Cl)c2ccc(F)cc2Cl)c(C)c1
InChIInChI=1S/C16H15Cl2F/c1-9-6-10(2)15(11(3)7-9)16(18)13-5-4-12(19)8-14(13)17/h4-8,16H,1-3H3
InChIKeyBEGOFZWLWKCRPU-UHFFFAOYSA-N
MW297.20 g/mol
LogP5.73
Rot. Bonds2

About 2-[chloro-(2-chloro-4-fluorophenyl)methyl]-1,3,5-trimethylbenzene

2-[chloro-(2-chloro-4-fluorophenyl)methyl]-1,3,5-trimethylbenzene (PubChem CID 63431338) has the molecular formula C16H15Cl2F and a molecular weight of 297.20 g/mol. Its IUPAC name is 2-[chloro-(2-chloro-4-fluorophenyl)methyl]-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2-[chloro-(2-chloro-4-fluorophenyl)methyl]-1,3,5-trimethylbenzene
PubChem CID63431338
Molecular FormulaC16H15Cl2F
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name2-[chloro-(2-chloro-4-fluorophenyl)methyl]-1,3,5-trimethylbenzene
SMILESCc1cc(C)c(C(Cl)c2ccc(F)cc2Cl)c(C)c1
InChIInChI=1S/C16H15Cl2F/c1-9-6-10(2)15(11(3)7-9)16(18)13-5-4-12(19)8-14(13)17/h4-8,16H,1-3H3
InChIKeyBEGOFZWLWKCRPU-UHFFFAOYSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.20
LogP ≤ 55.73
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

2-[(2-bromo-5-fluorophenyl)-chloromethyl]-1,3,5-trimethylbenzene
CID 63431799
2-[bromo-(2-chloro-4-fluorophenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 106879876
2-[chloro-(2,4-dimethylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 106879841
2,4-dichloro-1-[chloro-(5-fluoro-2-methylphenyl)methyl]benzene
CID 55198991
1,4-dibromo-2-[chloro-(2-chloro-4-fluorophenyl)methyl]-5-methylbenzene
CID 81472723
2-[chloro-(2,5-dimethylphenyl)methyl]-1,3,5-trimethylbenzene
CID 55200035
1-[chloro-(5-fluoro-2-methylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene
CID 63429790
2-chloro-1-[chloro-(4-chlorophenyl)methyl]-4-fluorobenzene
CID 63429018
2-chloro-5-[chloro-(2-chloro-4-fluorophenyl)methyl]thiophene
CID 63432103
1-(2-chloro-4-fluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 63420241
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine
CID 63449279
1-[chloro-(2-chloro-4-methylphenyl)methyl]-2,4-dimethylbenzene
CID 106862883

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(2-chloro-4-fluorophenyl)methyl]-1,3,5-trimethylbenzene?
The IUPAC name of 2-[chloro-(2-chloro-4-fluorophenyl)methyl]-1,3,5-trimethylbenzene (CID 63431338) is 2-[chloro-(2-chloro-4-fluorophenyl)methyl]-1,3,5-trimethylbenzene.
What is the SMILES notation for 2-[chloro-(2-chloro-4-fluorophenyl)methyl]-1,3,5-trimethylbenzene?
The canonical SMILES for 2-[chloro-(2-chloro-4-fluorophenyl)methyl]-1,3,5-trimethylbenzene is Cc1cc(C)c(C(Cl)c2ccc(F)cc2Cl)c(C)c1.
What is the InChIKey of 2-[chloro-(2-chloro-4-fluorophenyl)methyl]-1,3,5-trimethylbenzene?
The InChIKey is BEGOFZWLWKCRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2F/c1-9-6-10(2)15(11(3)7-9)16(18)13-5-4-12(19)8-14(13)17/h4-8,16H,1-3H3.
What are the key properties of 2-[chloro-(2-chloro-4-fluorophenyl)methyl]-1,3,5-trimethylbenzene?
2-[chloro-(2-chloro-4-fluorophenyl)methyl]-1,3,5-trimethylbenzene has a molecular weight of 297.20 g/mol, XLogP of 5.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(2-chloro-4-fluorophenyl)methyl]-1,3,5-trimethylbenzene is sourced from PubChem (CID 63431338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).