(2R,3R)-2-hydroxy-2-(trifluoromethyl)oxane-3-carboxylic acid

C7H9F3O4 — CID 11264350

IUPAC(2R,3R)-2-hydroxy-2-(trifluoromethyl)oxane-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCO[C@@]1(O)C(F)(F)F
InChIInChI=1S/C7H9F3O4/c8-7(9,10)6(13)4(5(11)12)2-1-3-14-6/h4,13H,1-3H2,(H,11,12)/t4-,6+/m0/s1
InChIKeyYFNZMZTYOWORNJ-UJURSFKZSA-N
MW214.14 g/mol
LogP0.75
Rot. Bonds1

About (2R,3R)-2-hydroxy-2-(trifluoromethyl)oxane-3-carboxylic acid

(2R,3R)-2-hydroxy-2-(trifluoromethyl)oxane-3-carboxylic acid (PubChem CID 11264350) has the molecular formula C7H9F3O4 and a molecular weight of 214.14 g/mol. Its IUPAC name is (2R,3R)-2-hydroxy-2-(trifluoromethyl)oxane-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-2-hydroxy-2-(trifluoromethyl)oxane-3-carboxylic acid
PubChem CID11264350
Molecular FormulaC7H9F3O4
Molecular Weight214.14 g/mol
Exact Mass214.05
IUPAC Name(2R,3R)-2-hydroxy-2-(trifluoromethyl)oxane-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCO[C@@]1(O)C(F)(F)F
InChIInChI=1S/C7H9F3O4/c8-7(9,10)6(13)4(5(11)12)2-1-3-14-6/h4,13H,1-3H2,(H,11,12)/t4-,6+/m0/s1
InChIKeyYFNZMZTYOWORNJ-UJURSFKZSA-N
XLogP0.75
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.14
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R,3R)-2-hydroxy-2-(trifluoromethyl)oxane-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-hydroxy-2-(trifluoromethyl)oxane-3-carboxylic acid?
The IUPAC name of (2R,3R)-2-hydroxy-2-(trifluoromethyl)oxane-3-carboxylic acid (CID 11264350) is (2R,3R)-2-hydroxy-2-(trifluoromethyl)oxane-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-2-hydroxy-2-(trifluoromethyl)oxane-3-carboxylic acid?
The canonical SMILES for (2R,3R)-2-hydroxy-2-(trifluoromethyl)oxane-3-carboxylic acid is O=C(O)[C@@H]1CCCO[C@@]1(O)C(F)(F)F.
What is the InChIKey of (2R,3R)-2-hydroxy-2-(trifluoromethyl)oxane-3-carboxylic acid?
The InChIKey is YFNZMZTYOWORNJ-UJURSFKZSA-N. The full InChI is InChI=1S/C7H9F3O4/c8-7(9,10)6(13)4(5(11)12)2-1-3-14-6/h4,13H,1-3H2,(H,11,12)/t4-,6+/m0/s1.
What are the key properties of (2R,3R)-2-hydroxy-2-(trifluoromethyl)oxane-3-carboxylic acid?
(2R,3R)-2-hydroxy-2-(trifluoromethyl)oxane-3-carboxylic acid has a molecular weight of 214.14 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-hydroxy-2-(trifluoromethyl)oxane-3-carboxylic acid is sourced from PubChem (CID 11264350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).