2-(2,3,4-trifluorophenoxy)ethanol

C8H7F3O2 — CID 117051245

IUPAC2-(2,3,4-trifluorophenoxy)ethanol
SMILESOCCOc1ccc(F)c(F)c1F
InChIInChI=1S/C8H7F3O2/c9-5-1-2-6(13-4-3-12)8(11)7(5)10/h1-2,12H,3-4H2
InChIKeyGCCMFLXEOWUJGN-UHFFFAOYSA-N
MW192.14 g/mol
LogP1.48
Rot. Bonds3

About 2-(2,3,4-trifluorophenoxy)ethanol

2-(2,3,4-trifluorophenoxy)ethanol (PubChem CID 117051245) has the molecular formula C8H7F3O2 and a molecular weight of 192.14 g/mol. Its IUPAC name is 2-(2,3,4-trifluorophenoxy)ethanol.

Molecular Properties

Compound Name2-(2,3,4-trifluorophenoxy)ethanol
PubChem CID117051245
Molecular FormulaC8H7F3O2
Molecular Weight192.14 g/mol
Exact Mass192.04
IUPAC Name2-(2,3,4-trifluorophenoxy)ethanol
SMILESOCCOc1ccc(F)c(F)c1F
InChIInChI=1S/C8H7F3O2/c9-5-1-2-6(13-4-3-12)8(11)7(5)10/h1-2,12H,3-4H2
InChIKeyGCCMFLXEOWUJGN-UHFFFAOYSA-N
XLogP1.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4-trifluorophenoxy)ethanol?
The IUPAC name of 2-(2,3,4-trifluorophenoxy)ethanol (CID 117051245) is 2-(2,3,4-trifluorophenoxy)ethanol.
What is the SMILES notation for 2-(2,3,4-trifluorophenoxy)ethanol?
The canonical SMILES for 2-(2,3,4-trifluorophenoxy)ethanol is OCCOc1ccc(F)c(F)c1F.
What is the InChIKey of 2-(2,3,4-trifluorophenoxy)ethanol?
The InChIKey is GCCMFLXEOWUJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3O2/c9-5-1-2-6(13-4-3-12)8(11)7(5)10/h1-2,12H,3-4H2.
What are the key properties of 2-(2,3,4-trifluorophenoxy)ethanol?
2-(2,3,4-trifluorophenoxy)ethanol has a molecular weight of 192.14 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4-trifluorophenoxy)ethanol is sourced from PubChem (CID 117051245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).