1-cyclobutyl-2-[2-(trifluoromethyl)phenoxy]ethanol

C13H15F3O2 — CID 117245560

IUPAC1-cyclobutyl-2-[2-(trifluoromethyl)phenoxy]ethanol
SMILESOC(COc1ccccc1C(F)(F)F)C1CCC1
InChIInChI=1S/C13H15F3O2/c14-13(15,16)10-6-1-2-7-12(10)18-8-11(17)9-4-3-5-9/h1-2,6-7,9,11,17H,3-5,8H2
InChIKeyOXZYJRCHHXGDSC-UHFFFAOYSA-N
MW260.25 g/mol
LogP3.25
Rot. Bonds4

About 1-cyclobutyl-2-[2-(trifluoromethyl)phenoxy]ethanol

1-cyclobutyl-2-[2-(trifluoromethyl)phenoxy]ethanol (PubChem CID 117245560) has the molecular formula C13H15F3O2 and a molecular weight of 260.25 g/mol. Its IUPAC name is 1-cyclobutyl-2-[2-(trifluoromethyl)phenoxy]ethanol.

Molecular Properties

Compound Name1-cyclobutyl-2-[2-(trifluoromethyl)phenoxy]ethanol
PubChem CID117245560
Molecular FormulaC13H15F3O2
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Name1-cyclobutyl-2-[2-(trifluoromethyl)phenoxy]ethanol
SMILESOC(COc1ccccc1C(F)(F)F)C1CCC1
InChIInChI=1S/C13H15F3O2/c14-13(15,16)10-6-1-2-7-12(10)18-8-11(17)9-4-3-5-9/h1-2,6-7,9,11,17H,3-5,8H2
InChIKeyOXZYJRCHHXGDSC-UHFFFAOYSA-N
XLogP3.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(oxolan-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanol
CID 104753430
1-cyclopentyl-2-(2-methoxyphenoxy)ethanol
CID 113449278
1-cyclopentyl-2-naphthalen-1-yloxyethanol
CID 104753513
1-cyclopentyl-2-(2-propoxyphenoxy)ethanol
CID 104753565
2-(1-methylpiperidin-4-yl)-3-[2-(trifluoromethyl)phenoxy]propan-1-ol
CID 117239219
(2R)-1-amino-3-[2-(trifluoromethyl)phenoxy]propan-2-ol
CID 30121905
2-(cyclopropylamino)-4-[2-(trifluoromethyl)phenoxy]butan-1-ol
CID 64804090
3-cyclohexyl-1-[(2S)-2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-1-methylurea
CID 52502216
2-(2-fluorophenoxy)-1-(1-methylpiperidin-4-yl)ethanol
CID 117238738
1-pyridin-4-yl-2-[2-(trifluoromethyl)phenoxy]ethanol
CID 117246453
3-[[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-methylamino]-1-methylpyrrolidin-2-one
CID 71999796
1-cyclopentyl-2-quinolin-5-yloxyethanol
CID 103045508

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-[2-(trifluoromethyl)phenoxy]ethanol?
The IUPAC name of 1-cyclobutyl-2-[2-(trifluoromethyl)phenoxy]ethanol (CID 117245560) is 1-cyclobutyl-2-[2-(trifluoromethyl)phenoxy]ethanol.
What is the SMILES notation for 1-cyclobutyl-2-[2-(trifluoromethyl)phenoxy]ethanol?
The canonical SMILES for 1-cyclobutyl-2-[2-(trifluoromethyl)phenoxy]ethanol is OC(COc1ccccc1C(F)(F)F)C1CCC1.
What is the InChIKey of 1-cyclobutyl-2-[2-(trifluoromethyl)phenoxy]ethanol?
The InChIKey is OXZYJRCHHXGDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O2/c14-13(15,16)10-6-1-2-7-12(10)18-8-11(17)9-4-3-5-9/h1-2,6-7,9,11,17H,3-5,8H2.
What are the key properties of 1-cyclobutyl-2-[2-(trifluoromethyl)phenoxy]ethanol?
1-cyclobutyl-2-[2-(trifluoromethyl)phenoxy]ethanol has a molecular weight of 260.25 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-[2-(trifluoromethyl)phenoxy]ethanol is sourced from PubChem (CID 117245560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).