2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol

C13H15F3O2 — CID 62791649

IUPAC2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESOC(CC1CCCO1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H15F3O2/c14-13(15,16)10-5-3-9(4-6-10)12(17)8-11-2-1-7-18-11/h3-6,11-12,17H,1-2,7-8H2
InChIKeyUUPAVAHSRCBTTK-UHFFFAOYSA-N
MW260.25 g/mol
LogP3.31
Rot. Bonds3

About 2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol

2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 62791649) has the molecular formula C13H15F3O2 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID62791649
Molecular FormulaC13H15F3O2
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Name2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESOC(CC1CCCO1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H15F3O2/c14-13(15,16)10-5-3-9(4-6-10)12(17)8-11-2-1-7-18-11/h3-6,11-12,17H,1-2,7-8H2
InChIKeyUUPAVAHSRCBTTK-UHFFFAOYSA-N
XLogP3.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-methylbutan-2-yl)phenyl]-2-(oxolan-2-yl)ethanol
CID 66259192
1-(4-methylphenyl)-2-(oxolan-2-yl)ethanol
CID 60797370
N-methyl-2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62791871
2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 55116317
2-(oxolan-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol
CID 62918574
(1S)-2-cyclohexyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol
CID 67344023
N-methyl-3-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 115852134
1-(3,4-dimethoxyphenyl)-2-(oxolan-2-yl)ethanol
CID 62606269
(1S)-2-[cyclopropyl-[[(2R)-oxolan-2-yl]methyl]amino]-1-(4-fluorophenyl)ethanol
CID 129424046
1-(2,3-dihydrofuran-4-yl)-2-(oxolan-2-yl)ethanol
CID 130580079
1-(3-chloro-4-methylphenyl)-2-(oxan-2-yl)ethanol
CID 107560134
cyclobutyl-[4-(trifluoromethyl)phenyl]methanol
CID 64986363

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol (CID 62791649) is 2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol is OC(CC1CCCO1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is UUPAVAHSRCBTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O2/c14-13(15,16)10-5-3-9(4-6-10)12(17)8-11-2-1-7-18-11/h3-6,11-12,17H,1-2,7-8H2.
What are the key properties of 2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol?
2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 260.25 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 62791649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).