4-(chloromethyl)-2-(4-ethylphenyl)-1-fluorobenzene

C15H14ClF — CID 82119035

IUPAC4-(chloromethyl)-2-(4-ethylphenyl)-1-fluorobenzene
SMILESCCc1ccc(-c2cc(CCl)ccc2F)cc1
InChIInChI=1S/C15H14ClF/c1-2-11-3-6-13(7-4-11)14-9-12(10-16)5-8-15(14)17/h3-9H,2,10H2,1H3
InChIKeyZZQNJZUDFRZRHG-UHFFFAOYSA-N
MW248.73 g/mol
LogP4.79
Rot. Bonds3

About 4-(chloromethyl)-2-(4-ethylphenyl)-1-fluorobenzene

4-(chloromethyl)-2-(4-ethylphenyl)-1-fluorobenzene (PubChem CID 82119035) has the molecular formula C15H14ClF and a molecular weight of 248.73 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(4-ethylphenyl)-1-fluorobenzene.

Molecular Properties

Compound Name4-(chloromethyl)-2-(4-ethylphenyl)-1-fluorobenzene
PubChem CID82119035
Molecular FormulaC15H14ClF
Molecular Weight248.73 g/mol
Exact Mass248.08
IUPAC Name4-(chloromethyl)-2-(4-ethylphenyl)-1-fluorobenzene
SMILESCCc1ccc(-c2cc(CCl)ccc2F)cc1
InChIInChI=1S/C15H14ClF/c1-2-11-3-6-13(7-4-11)14-9-12(10-16)5-8-15(14)17/h3-9H,2,10H2,1H3
InChIKeyZZQNJZUDFRZRHG-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.73
LogP ≤ 54.79
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-(4-cyclopropylphenyl)-4-ethyl-1-fluorobenzene
CID 167219024
4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene
CID 129263989
1-chloro-4-[2-(4-ethylphenyl)phenyl]benzene
CID 166659313
2,4-bis(chloromethyl)-1-fluorobenzene
CID 165357761
1,2,4-trichloro-5-[5-(chloromethyl)-2-fluorophenyl]benzene
CID 134629936
4-(4-ethylphenyl)-2,3-difluorophenol
CID 19911018
4-(chloromethyl)-2-(3,4-difluorophenyl)-1-methoxybenzene
CID 82123483
1-[5-(chloromethyl)-2-fluorophenyl]-2,4-dimethylbenzene
CID 82119039
[4-fluoro-3-(4-fluorophenyl)phenyl]methanol
CID 46312404
2,4-diethyl-1-(4-ethylphenyl)benzene
CID 102240206
4-[4-[2-(4-ethylphenyl)ethyl]phenyl]-1,2-difluorobenzene
CID 18984130
1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-methylbenzene
CID 147217763

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(4-ethylphenyl)-1-fluorobenzene?
The IUPAC name of 4-(chloromethyl)-2-(4-ethylphenyl)-1-fluorobenzene (CID 82119035) is 4-(chloromethyl)-2-(4-ethylphenyl)-1-fluorobenzene.
What is the SMILES notation for 4-(chloromethyl)-2-(4-ethylphenyl)-1-fluorobenzene?
The canonical SMILES for 4-(chloromethyl)-2-(4-ethylphenyl)-1-fluorobenzene is CCc1ccc(-c2cc(CCl)ccc2F)cc1.
What is the InChIKey of 4-(chloromethyl)-2-(4-ethylphenyl)-1-fluorobenzene?
The InChIKey is ZZQNJZUDFRZRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF/c1-2-11-3-6-13(7-4-11)14-9-12(10-16)5-8-15(14)17/h3-9H,2,10H2,1H3.
What are the key properties of 4-(chloromethyl)-2-(4-ethylphenyl)-1-fluorobenzene?
4-(chloromethyl)-2-(4-ethylphenyl)-1-fluorobenzene has a molecular weight of 248.73 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(4-ethylphenyl)-1-fluorobenzene is sourced from PubChem (CID 82119035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).