2-[2-(2,3,4-trifluorophenyl)phenoxy]ethanol

C14H11F3O2 — CID 46937163

IUPAC2-[2-(2,3,4-trifluorophenyl)phenoxy]ethanol
SMILESOCCOc1ccccc1-c1ccc(F)c(F)c1F
InChIInChI=1S/C14H11F3O2/c15-11-6-5-10(13(16)14(11)17)9-3-1-2-4-12(9)19-8-7-18/h1-6,18H,7-8H2
InChIKeyAGXPXFPIOHNDAN-UHFFFAOYSA-N
MW268.23 g/mol
LogP3.14
Rot. Bonds4

About 2-[2-(2,3,4-trifluorophenyl)phenoxy]ethanol

2-[2-(2,3,4-trifluorophenyl)phenoxy]ethanol (PubChem CID 46937163) has the molecular formula C14H11F3O2 and a molecular weight of 268.23 g/mol. Its IUPAC name is 2-[2-(2,3,4-trifluorophenyl)phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2,3,4-trifluorophenyl)phenoxy]ethanol
PubChem CID46937163
Molecular FormulaC14H11F3O2
Molecular Weight268.23 g/mol
Exact Mass268.07
IUPAC Name2-[2-(2,3,4-trifluorophenyl)phenoxy]ethanol
SMILESOCCOc1ccccc1-c1ccc(F)c(F)c1F
InChIInChI=1S/C14H11F3O2/c15-11-6-5-10(13(16)14(11)17)9-3-1-2-4-12(9)19-8-7-18/h1-6,18H,7-8H2
InChIKeyAGXPXFPIOHNDAN-UHFFFAOYSA-N
XLogP3.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 53.14
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-(2,3,4-trifluorophenyl)phenoxy]ethanol?
The IUPAC name of 2-[2-(2,3,4-trifluorophenyl)phenoxy]ethanol (CID 46937163) is 2-[2-(2,3,4-trifluorophenyl)phenoxy]ethanol.
What is the SMILES notation for 2-[2-(2,3,4-trifluorophenyl)phenoxy]ethanol?
The canonical SMILES for 2-[2-(2,3,4-trifluorophenyl)phenoxy]ethanol is OCCOc1ccccc1-c1ccc(F)c(F)c1F.
What is the InChIKey of 2-[2-(2,3,4-trifluorophenyl)phenoxy]ethanol?
The InChIKey is AGXPXFPIOHNDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3O2/c15-11-6-5-10(13(16)14(11)17)9-3-1-2-4-12(9)19-8-7-18/h1-6,18H,7-8H2.
What are the key properties of 2-[2-(2,3,4-trifluorophenyl)phenoxy]ethanol?
2-[2-(2,3,4-trifluorophenyl)phenoxy]ethanol has a molecular weight of 268.23 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3,4-trifluorophenyl)phenoxy]ethanol is sourced from PubChem (CID 46937163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).