1-[2-(2-chloroethoxy)ethoxy]-2-fluorobenzene

C10H12ClFO2 — CID 63663798

IUPAC1-[2-(2-chloroethoxy)ethoxy]-2-fluorobenzene
SMILESFc1ccccc1OCCOCCCl
InChIInChI=1S/C10H12ClFO2/c11-5-6-13-7-8-14-10-4-2-1-3-9(10)12/h1-4H,5-8H2
InChIKeyFIBPVIJXSHEVDD-UHFFFAOYSA-N
MW218.66 g/mol
LogP2.46
Rot. Bonds6

About 1-[2-(2-chloroethoxy)ethoxy]-2-fluorobenzene

1-[2-(2-chloroethoxy)ethoxy]-2-fluorobenzene (PubChem CID 63663798) has the molecular formula C10H12ClFO2 and a molecular weight of 218.66 g/mol. Its IUPAC name is 1-[2-(2-chloroethoxy)ethoxy]-2-fluorobenzene.

Molecular Properties

Compound Name1-[2-(2-chloroethoxy)ethoxy]-2-fluorobenzene
PubChem CID63663798
Molecular FormulaC10H12ClFO2
Molecular Weight218.66 g/mol
Exact Mass218.05
IUPAC Name1-[2-(2-chloroethoxy)ethoxy]-2-fluorobenzene
SMILESFc1ccccc1OCCOCCCl
InChIInChI=1S/C10H12ClFO2/c11-5-6-13-7-8-14-10-4-2-1-3-9(10)12/h1-4H,5-8H2
InChIKeyFIBPVIJXSHEVDD-UHFFFAOYSA-N
XLogP2.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.66
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloroethoxy)ethoxy]-2-fluorobenzene?
The IUPAC name of 1-[2-(2-chloroethoxy)ethoxy]-2-fluorobenzene (CID 63663798) is 1-[2-(2-chloroethoxy)ethoxy]-2-fluorobenzene.
What is the SMILES notation for 1-[2-(2-chloroethoxy)ethoxy]-2-fluorobenzene?
The canonical SMILES for 1-[2-(2-chloroethoxy)ethoxy]-2-fluorobenzene is Fc1ccccc1OCCOCCCl.
What is the InChIKey of 1-[2-(2-chloroethoxy)ethoxy]-2-fluorobenzene?
The InChIKey is FIBPVIJXSHEVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO2/c11-5-6-13-7-8-14-10-4-2-1-3-9(10)12/h1-4H,5-8H2.
What are the key properties of 1-[2-(2-chloroethoxy)ethoxy]-2-fluorobenzene?
1-[2-(2-chloroethoxy)ethoxy]-2-fluorobenzene has a molecular weight of 218.66 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloroethoxy)ethoxy]-2-fluorobenzene is sourced from PubChem (CID 63663798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).