2-fluoro-1-(4-fluorophenoxy)ethanol

C8H8F2O2 — CID 174637164

IUPAC2-fluoro-1-(4-fluorophenoxy)ethanol
SMILESOC(CF)Oc1ccc(F)cc1
InChIInChI=1S/C8H8F2O2/c9-5-8(11)12-7-3-1-6(10)2-4-7/h1-4,8,11H,5H2
InChIKeyAMNUYUXFAFWEPH-UHFFFAOYSA-N
MW174.15 g/mol
LogP1.49
Rot. Bonds3

About 2-fluoro-1-(4-fluorophenoxy)ethanol

2-fluoro-1-(4-fluorophenoxy)ethanol (PubChem CID 174637164) has the molecular formula C8H8F2O2 and a molecular weight of 174.15 g/mol. Its IUPAC name is 2-fluoro-1-(4-fluorophenoxy)ethanol.

Molecular Properties

Compound Name2-fluoro-1-(4-fluorophenoxy)ethanol
PubChem CID174637164
Molecular FormulaC8H8F2O2
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Name2-fluoro-1-(4-fluorophenoxy)ethanol
SMILESOC(CF)Oc1ccc(F)cc1
InChIInChI=1S/C8H8F2O2/c9-5-8(11)12-7-3-1-6(10)2-4-7/h1-4,8,11H,5H2
InChIKeyAMNUYUXFAFWEPH-UHFFFAOYSA-N
XLogP1.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(4-fluorophenoxy)ethanol?
The IUPAC name of 2-fluoro-1-(4-fluorophenoxy)ethanol (CID 174637164) is 2-fluoro-1-(4-fluorophenoxy)ethanol.
What is the SMILES notation for 2-fluoro-1-(4-fluorophenoxy)ethanol?
The canonical SMILES for 2-fluoro-1-(4-fluorophenoxy)ethanol is OC(CF)Oc1ccc(F)cc1.
What is the InChIKey of 2-fluoro-1-(4-fluorophenoxy)ethanol?
The InChIKey is AMNUYUXFAFWEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2O2/c9-5-8(11)12-7-3-1-6(10)2-4-7/h1-4,8,11H,5H2.
What are the key properties of 2-fluoro-1-(4-fluorophenoxy)ethanol?
2-fluoro-1-(4-fluorophenoxy)ethanol has a molecular weight of 174.15 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(4-fluorophenoxy)ethanol is sourced from PubChem (CID 174637164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).