2-(chloromethyl)-1-fluoro-4-methoxybenzene

C8H8ClFO — CID 26343849

IUPAC2-(chloromethyl)-1-fluoro-4-methoxybenzene
SMILESCOc1ccc(F)c(CCl)c1
InChIInChI=1S/C8H8ClFO/c1-11-7-2-3-8(10)6(4-7)5-9/h2-4H,5H2,1H3
InChIKeyGLHVGEFEOAJQCI-UHFFFAOYSA-N
MW174.60 g/mol
LogP2.57
Rot. Bonds2

About 2-(chloromethyl)-1-fluoro-4-methoxybenzene

2-(chloromethyl)-1-fluoro-4-methoxybenzene (PubChem CID 26343849) has the molecular formula C8H8ClFO and a molecular weight of 174.60 g/mol. Its IUPAC name is 2-(chloromethyl)-1-fluoro-4-methoxybenzene.

Molecular Properties

Compound Name2-(chloromethyl)-1-fluoro-4-methoxybenzene
PubChem CID26343849
Molecular FormulaC8H8ClFO
Molecular Weight174.60 g/mol
Exact Mass174.02
IUPAC Name2-(chloromethyl)-1-fluoro-4-methoxybenzene
SMILESCOc1ccc(F)c(CCl)c1
InChIInChI=1S/C8H8ClFO/c1-11-7-2-3-8(10)6(4-7)5-9/h2-4H,5H2,1H3
InChIKeyGLHVGEFEOAJQCI-UHFFFAOYSA-N
XLogP2.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.60
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-fluoro-4-methoxybenzene?
The IUPAC name of 2-(chloromethyl)-1-fluoro-4-methoxybenzene (CID 26343849) is 2-(chloromethyl)-1-fluoro-4-methoxybenzene.
What is the SMILES notation for 2-(chloromethyl)-1-fluoro-4-methoxybenzene?
The canonical SMILES for 2-(chloromethyl)-1-fluoro-4-methoxybenzene is COc1ccc(F)c(CCl)c1.
What is the InChIKey of 2-(chloromethyl)-1-fluoro-4-methoxybenzene?
The InChIKey is GLHVGEFEOAJQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFO/c1-11-7-2-3-8(10)6(4-7)5-9/h2-4H,5H2,1H3.
What are the key properties of 2-(chloromethyl)-1-fluoro-4-methoxybenzene?
2-(chloromethyl)-1-fluoro-4-methoxybenzene has a molecular weight of 174.60 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-fluoro-4-methoxybenzene is sourced from PubChem (CID 26343849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).