1-(oxolan-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanol

C13H15F3O3 — CID 104753430

IUPAC1-(oxolan-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanol
SMILESOC(COc1ccccc1C(F)(F)F)C1CCOC1
InChIInChI=1S/C13H15F3O3/c14-13(15,16)10-3-1-2-4-12(10)19-8-11(17)9-5-6-18-7-9/h1-4,9,11,17H,5-8H2
InChIKeyVSNPRVUTZGFXIU-UHFFFAOYSA-N
MW276.25 g/mol
LogP2.48
Rot. Bonds4

About 1-(oxolan-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanol

1-(oxolan-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanol (PubChem CID 104753430) has the molecular formula C13H15F3O3 and a molecular weight of 276.25 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanol.

Molecular Properties

Compound Name1-(oxolan-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanol
PubChem CID104753430
Molecular FormulaC13H15F3O3
Molecular Weight276.25 g/mol
Exact Mass276.10
IUPAC Name1-(oxolan-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanol
SMILESOC(COc1ccccc1C(F)(F)F)C1CCOC1
InChIInChI=1S/C13H15F3O3/c14-13(15,16)10-3-1-2-4-12(10)19-8-11(17)9-5-6-18-7-9/h1-4,9,11,17H,5-8H2
InChIKeyVSNPRVUTZGFXIU-UHFFFAOYSA-N
XLogP2.48
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-2-[2-(trifluoromethyl)phenoxy]ethanol
CID 117245560
2-(2-tert-butylphenoxy)-1-(oxolan-3-yl)ethanamine
CID 104748355
1-(oxolan-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone
CID 104693489
2-(2-tert-butylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104748356
2-(2,6-dimethylphenoxy)-1-(oxolan-3-yl)ethanol
CID 104753445
2-(2,4-dimethylphenoxy)-1-(oxolan-3-yl)ethanol
CID 104753451
1-(oxan-4-yl)-2-phenoxyethanol
CID 63936275
2-(3,5-difluorophenoxy)-1-(oxolan-3-yl)ethanol
CID 104753703
1-(oxolan-3-yl)-3-phenoxypropan-1-ol
CID 63565308
2-(3-methoxyphenoxy)-1-(oxolan-3-yl)ethanol
CID 113449272
2-[3-amino-2-(oxolan-3-yl)propoxy]phenol
CID 117237737
2-(3-methylphenoxy)-1-(oxolan-3-yl)ethanol
CID 104753502

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanol?
The IUPAC name of 1-(oxolan-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanol (CID 104753430) is 1-(oxolan-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanol.
What is the SMILES notation for 1-(oxolan-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanol?
The canonical SMILES for 1-(oxolan-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanol is OC(COc1ccccc1C(F)(F)F)C1CCOC1.
What is the InChIKey of 1-(oxolan-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanol?
The InChIKey is VSNPRVUTZGFXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O3/c14-13(15,16)10-3-1-2-4-12(10)19-8-11(17)9-5-6-18-7-9/h1-4,9,11,17H,5-8H2.
What are the key properties of 1-(oxolan-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanol?
1-(oxolan-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanol has a molecular weight of 276.25 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanol is sourced from PubChem (CID 104753430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).