[(3R,5S)-5-phenyl-5-(2,2,2-trifluoroethyl)oxolan-3-yl]methanol

C13H15F3O2 — CID 154720354

IUPAC[(3R,5S)-5-phenyl-5-(2,2,2-trifluoroethyl)oxolan-3-yl]methanol
SMILESOC[C@@H]1CO[C@@](CC(F)(F)F)(c2ccccc2)C1
InChIInChI=1S/C13H15F3O2/c14-13(15,16)9-12(6-10(7-17)8-18-12)11-4-2-1-3-5-11/h1-5,10,17H,6-9H2/t10-,12+/m1/s1
InChIKeyYYCGAGUIVXMFNA-PWSUYJOCSA-N
MW260.25 g/mol
LogP2.86
Rot. Bonds3

About [(3R,5S)-5-phenyl-5-(2,2,2-trifluoroethyl)oxolan-3-yl]methanol

[(3R,5S)-5-phenyl-5-(2,2,2-trifluoroethyl)oxolan-3-yl]methanol (PubChem CID 154720354) has the molecular formula C13H15F3O2 and a molecular weight of 260.25 g/mol. Its IUPAC name is [(3R,5S)-5-phenyl-5-(2,2,2-trifluoroethyl)oxolan-3-yl]methanol.

Molecular Properties

Compound Name[(3R,5S)-5-phenyl-5-(2,2,2-trifluoroethyl)oxolan-3-yl]methanol
PubChem CID154720354
Molecular FormulaC13H15F3O2
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Name[(3R,5S)-5-phenyl-5-(2,2,2-trifluoroethyl)oxolan-3-yl]methanol
SMILESOC[C@@H]1CO[C@@](CC(F)(F)F)(c2ccccc2)C1
InChIInChI=1S/C13H15F3O2/c14-13(15,16)9-12(6-10(7-17)8-18-12)11-4-2-1-3-5-11/h1-5,10,17H,6-9H2/t10-,12+/m1/s1
InChIKeyYYCGAGUIVXMFNA-PWSUYJOCSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-Butanediol, 4-phenyl-1,1,1-trifluoro-2-(trifluoromethyl)-
CID 36952
D-Ribitol, 1,4-anhydro-1-C-phenyl-, (1S)-
CID 5271317
4,4,4-Trifluoro-2-methyl-1-phenyl-3-(trifluoromethyl)butane-1,3-diol
CID 36944
2-Phenyloxan-4-ol
CID 10329884
3-(Benzyloxy)-2-fluoropropan-1-ol
CID 14003285
2,3-Bis-(4-fluorophenyl)-5-hydroxymethyltetrahydrofuran-3-ol
CID 42609841
1,3-Butanediol, 2-ethyl-1-phenyl-3-(trifluoromethyl)-4,4,4-trifluoro-
CID 36958
4,4,4-Trifluoro-1-(4-fluorophenyl)-2-methyl-3-(trifluoromethyl)butane-1,3-diol
CID 36962
2-Ethyl-4,4,4-trifluoro-1-(4-fluorophenyl)-3-(trifluoromethyl)butane-1,3-diol
CID 36963
2,2-Bis(4-fluorophenyl)tetrahydrofuran
CID 96739
Phenyl C-2'-deoxyribosyl nucleoside
CID 125255
(2R,3S,5R)-5-[2,4-difluoro-5-(trifluoromethyl)phenyl]-2-(hydroxymethyl)tetrahydrofuran-3-ol
CID 502242

Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-5-phenyl-5-(2,2,2-trifluoroethyl)oxolan-3-yl]methanol?
The IUPAC name of [(3R,5S)-5-phenyl-5-(2,2,2-trifluoroethyl)oxolan-3-yl]methanol (CID 154720354) is [(3R,5S)-5-phenyl-5-(2,2,2-trifluoroethyl)oxolan-3-yl]methanol.
What is the SMILES notation for [(3R,5S)-5-phenyl-5-(2,2,2-trifluoroethyl)oxolan-3-yl]methanol?
The canonical SMILES for [(3R,5S)-5-phenyl-5-(2,2,2-trifluoroethyl)oxolan-3-yl]methanol is OC[C@@H]1CO[C@@](CC(F)(F)F)(c2ccccc2)C1.
What is the InChIKey of [(3R,5S)-5-phenyl-5-(2,2,2-trifluoroethyl)oxolan-3-yl]methanol?
The InChIKey is YYCGAGUIVXMFNA-PWSUYJOCSA-N. The full InChI is InChI=1S/C13H15F3O2/c14-13(15,16)9-12(6-10(7-17)8-18-12)11-4-2-1-3-5-11/h1-5,10,17H,6-9H2/t10-,12+/m1/s1.
What are the key properties of [(3R,5S)-5-phenyl-5-(2,2,2-trifluoroethyl)oxolan-3-yl]methanol?
[(3R,5S)-5-phenyl-5-(2,2,2-trifluoroethyl)oxolan-3-yl]methanol has a molecular weight of 260.25 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-5-phenyl-5-(2,2,2-trifluoroethyl)oxolan-3-yl]methanol is sourced from PubChem (CID 154720354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).