1-[5-(chloromethyl)-2-fluorophenyl]-2,4-dimethylbenzene

C15H14ClF — CID 82119039

IUPAC1-[5-(chloromethyl)-2-fluorophenyl]-2,4-dimethylbenzene
SMILESCc1ccc(-c2cc(CCl)ccc2F)c(C)c1
InChIInChI=1S/C15H14ClF/c1-10-3-5-13(11(2)7-10)14-8-12(9-16)4-6-15(14)17/h3-8H,9H2,1-2H3
InChIKeyLHZQFFLYCZNDBZ-UHFFFAOYSA-N
MW248.73 g/mol
LogP4.85
Rot. Bonds2

About 1-[5-(chloromethyl)-2-fluorophenyl]-2,4-dimethylbenzene

1-[5-(chloromethyl)-2-fluorophenyl]-2,4-dimethylbenzene (PubChem CID 82119039) has the molecular formula C15H14ClF and a molecular weight of 248.73 g/mol. Its IUPAC name is 1-[5-(chloromethyl)-2-fluorophenyl]-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-[5-(chloromethyl)-2-fluorophenyl]-2,4-dimethylbenzene
PubChem CID82119039
Molecular FormulaC15H14ClF
Molecular Weight248.73 g/mol
Exact Mass248.08
IUPAC Name1-[5-(chloromethyl)-2-fluorophenyl]-2,4-dimethylbenzene
SMILESCc1ccc(-c2cc(CCl)ccc2F)c(C)c1
InChIInChI=1S/C15H14ClF/c1-10-3-5-13(11(2)7-10)14-8-12(9-16)4-6-15(14)17/h3-8H,9H2,1-2H3
InChIKeyLHZQFFLYCZNDBZ-UHFFFAOYSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.73
LogP ≤ 54.85
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-[4-(2-fluoro-5-methylphenyl)-3-methylphenyl]-N-methylmethanamine
CID 66479816
3-(2,4-dimethylphenyl)-4-fluoroaniline
CID 104781174
[4-fluoro-3-(4-fluoro-2-methylphenyl)phenyl]methanamine
CID 54911954
1,2,4-trichloro-5-[5-(chloromethyl)-2-fluorophenyl]benzene
CID 134629936
4-(chloromethyl)-2-(4-ethylphenyl)-1-fluorobenzene
CID 82119035
1-[4-(2,4-dimethylphenyl)-3-fluorophenyl]-N-methylmethanamine
CID 81446952
2-[4-(chloromethyl)-2-fluorophenoxy]-1-fluoro-4-methylbenzene
CID 64856384
2-fluoro-1,3-bis(2-fluoro-5-methylphenyl)-5-methylbenzene
CID 13230580
1-[2-(chloromethyl)phenyl]-2,4-dimethylbenzene
CID 43840277
N-[[4-(2,4-dimethylphenyl)-3-fluorophenyl]methyl]ethanamine
CID 81446751
1-fluoro-2-(2-fluoro-3-methylphenyl)-4-methylbenzene
CID 169173470
4-(chloromethyl)-1-fluoro-2-[2-(trifluoromethyl)phenyl]benzene
CID 94297138

Frequently Asked Questions

What is the IUPAC name of 1-[5-(chloromethyl)-2-fluorophenyl]-2,4-dimethylbenzene?
The IUPAC name of 1-[5-(chloromethyl)-2-fluorophenyl]-2,4-dimethylbenzene (CID 82119039) is 1-[5-(chloromethyl)-2-fluorophenyl]-2,4-dimethylbenzene.
What is the SMILES notation for 1-[5-(chloromethyl)-2-fluorophenyl]-2,4-dimethylbenzene?
The canonical SMILES for 1-[5-(chloromethyl)-2-fluorophenyl]-2,4-dimethylbenzene is Cc1ccc(-c2cc(CCl)ccc2F)c(C)c1.
What is the InChIKey of 1-[5-(chloromethyl)-2-fluorophenyl]-2,4-dimethylbenzene?
The InChIKey is LHZQFFLYCZNDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF/c1-10-3-5-13(11(2)7-10)14-8-12(9-16)4-6-15(14)17/h3-8H,9H2,1-2H3.
What are the key properties of 1-[5-(chloromethyl)-2-fluorophenyl]-2,4-dimethylbenzene?
1-[5-(chloromethyl)-2-fluorophenyl]-2,4-dimethylbenzene has a molecular weight of 248.73 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(chloromethyl)-2-fluorophenyl]-2,4-dimethylbenzene is sourced from PubChem (CID 82119039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).