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

C16H16ClF — CID 63542159

IUPAC4-[1-chloro-2-(4-methylphenyl)ethyl]-2-fluoro-1-methylbenzene
SMILESCc1ccc(CC(Cl)c2ccc(C)c(F)c2)cc1
InChIInChI=1S/C16H16ClF/c1-11-3-6-13(7-4-11)9-15(17)14-8-5-12(2)16(18)10-14/h3-8,10,15H,9H2,1-2H3
InChIKeyFKTRPEVVSBJTDZ-UHFFFAOYSA-N
MW262.75 g/mol
LogP4.97
Rot. Bonds3

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

4-[1-chloro-2-(4-methylphenyl)ethyl]-2-fluoro-1-methylbenzene (PubChem CID 63542159) has the molecular formula C16H16ClF and a molecular weight of 262.75 g/mol. Its IUPAC name is 4-[1-chloro-2-(4-methylphenyl)ethyl]-2-fluoro-1-methylbenzene.

Molecular Properties

Compound Name4-[1-chloro-2-(4-methylphenyl)ethyl]-2-fluoro-1-methylbenzene
PubChem CID63542159
Molecular FormulaC16H16ClF
Molecular Weight262.75 g/mol
Exact Mass262.09
IUPAC Name4-[1-chloro-2-(4-methylphenyl)ethyl]-2-fluoro-1-methylbenzene
SMILESCc1ccc(CC(Cl)c2ccc(C)c(F)c2)cc1
InChIInChI=1S/C16H16ClF/c1-11-3-6-13(7-4-11)9-15(17)14-8-5-12(2)16(18)10-14/h3-8,10,15H,9H2,1-2H3
InChIKeyFKTRPEVVSBJTDZ-UHFFFAOYSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.75
LogP ≤ 54.97
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
2-[2-chloro-2-(3-fluoro-4-methylphenyl)ethyl]-1,4-dimethylbenzene
CID 55224644
4-[1-chloro-2-(4-methylphenyl)ethyl]-1-fluoro-2-methoxybenzene
CID 81284003
4-[1-chloro-2-(3-methoxyphenyl)ethyl]-2-fluoro-1-methylbenzene
CID 63543522
2-chloro-4-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-1-fluorobenzene
CID 82880182
2-bromo-1-chloro-4-[1-chloro-2-(4-methylphenyl)ethyl]benzene
CID 107993341
2-fluoro-4-[1-fluoro-2-(3-fluoro-4-methylphenyl)ethyl]-1-methylbenzene
CID 86172887
6-[1-chloro-2-(4-methylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine
CID 63433566
4-[1-chloro-2-(4-methoxyphenyl)ethyl]-1,2-dimethylbenzene
CID 63427622
4-[1-chloro-2-(4-methylphenyl)ethyl]pyridine
CID 63016107
4-[1-bromo-2-(4-methylphenyl)ethyl]-1,2-difluorobenzene
CID 55218629
2-chloro-4-[1-chloro-2-(4-methoxyphenyl)ethyl]-1-methylbenzene
CID 63520416

Frequently Asked Questions

What is the IUPAC name of 4-[1-chloro-2-(4-methylphenyl)ethyl]-2-fluoro-1-methylbenzene?
The IUPAC name of 4-[1-chloro-2-(4-methylphenyl)ethyl]-2-fluoro-1-methylbenzene (CID 63542159) is 4-[1-chloro-2-(4-methylphenyl)ethyl]-2-fluoro-1-methylbenzene.
What is the SMILES notation for 4-[1-chloro-2-(4-methylphenyl)ethyl]-2-fluoro-1-methylbenzene?
The canonical SMILES for 4-[1-chloro-2-(4-methylphenyl)ethyl]-2-fluoro-1-methylbenzene is Cc1ccc(CC(Cl)c2ccc(C)c(F)c2)cc1.
What is the InChIKey of 4-[1-chloro-2-(4-methylphenyl)ethyl]-2-fluoro-1-methylbenzene?
The InChIKey is FKTRPEVVSBJTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF/c1-11-3-6-13(7-4-11)9-15(17)14-8-5-12(2)16(18)10-14/h3-8,10,15H,9H2,1-2H3.
What are the key properties of 4-[1-chloro-2-(4-methylphenyl)ethyl]-2-fluoro-1-methylbenzene?
4-[1-chloro-2-(4-methylphenyl)ethyl]-2-fluoro-1-methylbenzene has a molecular weight of 262.75 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-chloro-2-(4-methylphenyl)ethyl]-2-fluoro-1-methylbenzene is sourced from PubChem (CID 63542159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).