2-[2-(3-chloro-2-fluorophenoxy)ethoxy]ethanol

C10H12ClFO3 — CID 116689707

IUPAC2-[2-(3-chloro-2-fluorophenoxy)ethoxy]ethanol
SMILESOCCOCCOc1cccc(Cl)c1F
InChIInChI=1S/C10H12ClFO3/c11-8-2-1-3-9(10(8)12)15-7-6-14-5-4-13/h1-3,13H,4-7H2
InChIKeyQOYAWIYFGOLYPE-UHFFFAOYSA-N
MW234.65 g/mol
LogP1.87
Rot. Bonds6

About 2-[2-(3-chloro-2-fluorophenoxy)ethoxy]ethanol

2-[2-(3-chloro-2-fluorophenoxy)ethoxy]ethanol (PubChem CID 116689707) has the molecular formula C10H12ClFO3 and a molecular weight of 234.65 g/mol. Its IUPAC name is 2-[2-(3-chloro-2-fluorophenoxy)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(3-chloro-2-fluorophenoxy)ethoxy]ethanol
PubChem CID116689707
Molecular FormulaC10H12ClFO3
Molecular Weight234.65 g/mol
Exact Mass234.05
IUPAC Name2-[2-(3-chloro-2-fluorophenoxy)ethoxy]ethanol
SMILESOCCOCCOc1cccc(Cl)c1F
InChIInChI=1S/C10H12ClFO3/c11-8-2-1-3-9(10(8)12)15-7-6-14-5-4-13/h1-3,13H,4-7H2
InChIKeyQOYAWIYFGOLYPE-UHFFFAOYSA-N
XLogP1.87
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.65
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chloro-2-fluorophenoxy)ethoxy]ethanol?
The IUPAC name of 2-[2-(3-chloro-2-fluorophenoxy)ethoxy]ethanol (CID 116689707) is 2-[2-(3-chloro-2-fluorophenoxy)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(3-chloro-2-fluorophenoxy)ethoxy]ethanol?
The canonical SMILES for 2-[2-(3-chloro-2-fluorophenoxy)ethoxy]ethanol is OCCOCCOc1cccc(Cl)c1F.
What is the InChIKey of 2-[2-(3-chloro-2-fluorophenoxy)ethoxy]ethanol?
The InChIKey is QOYAWIYFGOLYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO3/c11-8-2-1-3-9(10(8)12)15-7-6-14-5-4-13/h1-3,13H,4-7H2.
What are the key properties of 2-[2-(3-chloro-2-fluorophenoxy)ethoxy]ethanol?
2-[2-(3-chloro-2-fluorophenoxy)ethoxy]ethanol has a molecular weight of 234.65 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chloro-2-fluorophenoxy)ethoxy]ethanol is sourced from PubChem (CID 116689707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).