1-chloro-3-fluoro-2-(methoxymethoxy)benzene

C8H8ClFO2 — CID 131130632

IUPAC1-chloro-3-fluoro-2-(methoxymethoxy)benzene
SMILESCOCOc1c(F)cccc1Cl
InChIInChI=1S/C8H8ClFO2/c1-11-5-12-8-6(9)3-2-4-7(8)10/h2-4H,5H2,1H3
InChIKeyLCJNUPCCWIRBIL-UHFFFAOYSA-N
MW190.60 g/mol
LogP2.46
Rot. Bonds3

About 1-chloro-3-fluoro-2-(methoxymethoxy)benzene

1-chloro-3-fluoro-2-(methoxymethoxy)benzene (PubChem CID 131130632) has the molecular formula C8H8ClFO2 and a molecular weight of 190.60 g/mol. Its IUPAC name is 1-chloro-3-fluoro-2-(methoxymethoxy)benzene.

Molecular Properties

Compound Name1-chloro-3-fluoro-2-(methoxymethoxy)benzene
PubChem CID131130632
Molecular FormulaC8H8ClFO2
Molecular Weight190.60 g/mol
Exact Mass190.02
IUPAC Name1-chloro-3-fluoro-2-(methoxymethoxy)benzene
SMILESCOCOc1c(F)cccc1Cl
InChIInChI=1S/C8H8ClFO2/c1-11-5-12-8-6(9)3-2-4-7(8)10/h2-4H,5H2,1H3
InChIKeyLCJNUPCCWIRBIL-UHFFFAOYSA-N
XLogP2.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.60
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloro-6-fluorophenoxy)ethanethiol
CID 83053804
1,4-dichloro-2-(methoxymethoxy)-3-methylbenzene
CID 164512715
[3-[3-chloro-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)phenyl]methanol
CID 54117056
6-(2-chloro-6-fluorophenoxy)hexane-1-thiol
CID 83052361
6-(2-chloro-6-fluorophenoxy)hexan-2-one
CID 83051301
2-(5-bromo-3-methylpentoxy)-1-chloro-3-fluorobenzene
CID 83050874
3-(2-chloro-6-fluorophenoxy)propanethioamide
CID 83051817
4-(2-chloro-6-fluorophenoxy)butanoic acid
CID 83051076
5-(2-chloro-6-fluorophenoxy)pentanenitrile
CID 83050668
tert-butyl-[3-(2-chloro-6-fluorophenoxy)propoxy]-dimethylsilane
CID 141107768
5-[(2-chloro-6-fluorophenoxy)methyl]-1,3-thiazol-2-amine
CID 83051831
2-(2-chloro-6-fluorophenoxy)-1-phenylethanone
CID 83051091

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-fluoro-2-(methoxymethoxy)benzene?
The IUPAC name of 1-chloro-3-fluoro-2-(methoxymethoxy)benzene (CID 131130632) is 1-chloro-3-fluoro-2-(methoxymethoxy)benzene.
What is the SMILES notation for 1-chloro-3-fluoro-2-(methoxymethoxy)benzene?
The canonical SMILES for 1-chloro-3-fluoro-2-(methoxymethoxy)benzene is COCOc1c(F)cccc1Cl.
What is the InChIKey of 1-chloro-3-fluoro-2-(methoxymethoxy)benzene?
The InChIKey is LCJNUPCCWIRBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFO2/c1-11-5-12-8-6(9)3-2-4-7(8)10/h2-4H,5H2,1H3.
What are the key properties of 1-chloro-3-fluoro-2-(methoxymethoxy)benzene?
1-chloro-3-fluoro-2-(methoxymethoxy)benzene has a molecular weight of 190.60 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-fluoro-2-(methoxymethoxy)benzene is sourced from PubChem (CID 131130632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).