(3S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(2,2,2-trifluoroethyl)oxolan-2-one

C7H9F3O4 — CID 102223813

IUPAC(3S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(2,2,2-trifluoroethyl)oxolan-2-one
SMILESO=C1O[C@H](CO)[C@@H](O)[C@@H]1CC(F)(F)F
InChIInChI=1S/C7H9F3O4/c8-7(9,10)1-3-5(12)4(2-11)14-6(3)13/h3-5,11-12H,1-2H2/t3-,4+,5-/m0/s1
InChIKeyRKJNZPSHIANCFF-LMVFSUKVSA-N
MW214.14 g/mol
LogP-0.17
Rot. Bonds2

About (3S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(2,2,2-trifluoroethyl)oxolan-2-one

(3S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(2,2,2-trifluoroethyl)oxolan-2-one (PubChem CID 102223813) has the molecular formula C7H9F3O4 and a molecular weight of 214.14 g/mol. Its IUPAC name is (3S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(2,2,2-trifluoroethyl)oxolan-2-one.

Molecular Properties

Compound Name(3S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(2,2,2-trifluoroethyl)oxolan-2-one
PubChem CID102223813
Molecular FormulaC7H9F3O4
Molecular Weight214.14 g/mol
Exact Mass214.05
IUPAC Name(3S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(2,2,2-trifluoroethyl)oxolan-2-one
SMILESO=C1O[C@H](CO)[C@@H](O)[C@@H]1CC(F)(F)F
InChIInChI=1S/C7H9F3O4/c8-7(9,10)1-3-5(12)4(2-11)14-6(3)13/h3-5,11-12H,1-2H2/t3-,4+,5-/m0/s1
InChIKeyRKJNZPSHIANCFF-LMVFSUKVSA-N
XLogP-0.17
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.14
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(2,2,2-trifluoroethyl)oxolan-2-one?
The IUPAC name of (3S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(2,2,2-trifluoroethyl)oxolan-2-one (CID 102223813) is (3S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(2,2,2-trifluoroethyl)oxolan-2-one.
What is the SMILES notation for (3S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(2,2,2-trifluoroethyl)oxolan-2-one?
The canonical SMILES for (3S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(2,2,2-trifluoroethyl)oxolan-2-one is O=C1O[C@H](CO)[C@@H](O)[C@@H]1CC(F)(F)F.
What is the InChIKey of (3S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(2,2,2-trifluoroethyl)oxolan-2-one?
The InChIKey is RKJNZPSHIANCFF-LMVFSUKVSA-N. The full InChI is InChI=1S/C7H9F3O4/c8-7(9,10)1-3-5(12)4(2-11)14-6(3)13/h3-5,11-12H,1-2H2/t3-,4+,5-/m0/s1.
What are the key properties of (3S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(2,2,2-trifluoroethyl)oxolan-2-one?
(3S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(2,2,2-trifluoroethyl)oxolan-2-one has a molecular weight of 214.14 g/mol, XLogP of -0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(2,2,2-trifluoroethyl)oxolan-2-one is sourced from PubChem (CID 102223813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).