(2R,3S,5S)-2-(hydroxymethyl)-5-(2,4,5-trifluorophenyl)oxolan-3-ol

C11H11F3O3 — CID 502249

IUPAC(2R,3S,5S)-2-(hydroxymethyl)-5-(2,4,5-trifluorophenyl)oxolan-3-ol
SMILESOC[C@H]1O[C@H](c2cc(F)c(F)cc2F)C[C@@H]1O
InChIInChI=1S/C11H11F3O3/c12-6-2-8(14)7(13)1-5(6)10-3-9(16)11(4-15)17-10/h1-2,9-11,15-16H,3-4H2/t9-,10-,11+/m0/s1
InChIKeyBNFULMLJJVNAIW-GARJFASQSA-N
MW248.20 g/mol
LogP1.29
Rot. Bonds2

About (2R,3S,5S)-2-(hydroxymethyl)-5-(2,4,5-trifluorophenyl)oxolan-3-ol

(2R,3S,5S)-2-(hydroxymethyl)-5-(2,4,5-trifluorophenyl)oxolan-3-ol (PubChem CID 502249) has the molecular formula C11H11F3O3 and a molecular weight of 248.20 g/mol. Its IUPAC name is (2R,3S,5S)-2-(hydroxymethyl)-5-(2,4,5-trifluorophenyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5S)-2-(hydroxymethyl)-5-(2,4,5-trifluorophenyl)oxolan-3-ol
PubChem CID502249
Molecular FormulaC11H11F3O3
Molecular Weight248.20 g/mol
Exact Mass248.07
IUPAC Name(2R,3S,5S)-2-(hydroxymethyl)-5-(2,4,5-trifluorophenyl)oxolan-3-ol
SMILESOC[C@H]1O[C@H](c2cc(F)c(F)cc2F)C[C@@H]1O
InChIInChI=1S/C11H11F3O3/c12-6-2-8(14)7(13)1-5(6)10-3-9(16)11(4-15)17-10/h1-2,9-11,15-16H,3-4H2/t9-,10-,11+/m0/s1
InChIKeyBNFULMLJJVNAIW-GARJFASQSA-N
XLogP1.29
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

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CID 102910
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(R)-(-)-2-Methoxy-2-phenylethanol
CID 6950345
(2S,3S)-3-Phenyl-2-oxiranemethanol
CID 149229
(2S,3S)-(-)-2,3-Epoxy-2-methyl-3-phenyl-1-propanol
CID 176040
(2S,3S)-(-)-3-Phenylglycidol
CID 188583
2-(Benzyloxy)propan-1-ol
CID 561825

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5S)-2-(hydroxymethyl)-5-(2,4,5-trifluorophenyl)oxolan-3-ol?
The IUPAC name of (2R,3S,5S)-2-(hydroxymethyl)-5-(2,4,5-trifluorophenyl)oxolan-3-ol (CID 502249) is (2R,3S,5S)-2-(hydroxymethyl)-5-(2,4,5-trifluorophenyl)oxolan-3-ol.
What is the SMILES notation for (2R,3S,5S)-2-(hydroxymethyl)-5-(2,4,5-trifluorophenyl)oxolan-3-ol?
The canonical SMILES for (2R,3S,5S)-2-(hydroxymethyl)-5-(2,4,5-trifluorophenyl)oxolan-3-ol is OC[C@H]1O[C@H](c2cc(F)c(F)cc2F)C[C@@H]1O.
What is the InChIKey of (2R,3S,5S)-2-(hydroxymethyl)-5-(2,4,5-trifluorophenyl)oxolan-3-ol?
The InChIKey is BNFULMLJJVNAIW-GARJFASQSA-N. The full InChI is InChI=1S/C11H11F3O3/c12-6-2-8(14)7(13)1-5(6)10-3-9(16)11(4-15)17-10/h1-2,9-11,15-16H,3-4H2/t9-,10-,11+/m0/s1.
What are the key properties of (2R,3S,5S)-2-(hydroxymethyl)-5-(2,4,5-trifluorophenyl)oxolan-3-ol?
(2R,3S,5S)-2-(hydroxymethyl)-5-(2,4,5-trifluorophenyl)oxolan-3-ol has a molecular weight of 248.20 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5S)-2-(hydroxymethyl)-5-(2,4,5-trifluorophenyl)oxolan-3-ol is sourced from PubChem (CID 502249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).