(2R,3R,4R,5R)-2-methoxy-3-(trifluoromethyl)oxane-3,4,5-triol

C7H11F3O5 — CID 11107194

IUPAC(2R,3R,4R,5R)-2-methoxy-3-(trifluoromethyl)oxane-3,4,5-triol
SMILESCO[C@@H]1OC[C@@H](O)[C@@H](O)[C@]1(O)C(F)(F)F
InChIInChI=1S/C7H11F3O5/c1-14-5-6(13,7(8,9)10)4(12)3(11)2-15-5/h3-5,11-13H,2H2,1H3/t3-,4-,5-,6-/m1/s1
InChIKeySTFFISKKLNTXPG-KVTDHHQDSA-N
MW232.15 g/mol
LogP-1.00
Rot. Bonds1

About (2R,3R,4R,5R)-2-methoxy-3-(trifluoromethyl)oxane-3,4,5-triol

(2R,3R,4R,5R)-2-methoxy-3-(trifluoromethyl)oxane-3,4,5-triol (PubChem CID 11107194) has the molecular formula C7H11F3O5 and a molecular weight of 232.15 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2-methoxy-3-(trifluoromethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-2-methoxy-3-(trifluoromethyl)oxane-3,4,5-triol
PubChem CID11107194
Molecular FormulaC7H11F3O5
Molecular Weight232.15 g/mol
Exact Mass232.06
IUPAC Name(2R,3R,4R,5R)-2-methoxy-3-(trifluoromethyl)oxane-3,4,5-triol
SMILESCO[C@@H]1OC[C@@H](O)[C@@H](O)[C@]1(O)C(F)(F)F
InChIInChI=1S/C7H11F3O5/c1-14-5-6(13,7(8,9)10)4(12)3(11)2-15-5/h3-5,11-13H,2H2,1H3/t3-,4-,5-,6-/m1/s1
InChIKeySTFFISKKLNTXPG-KVTDHHQDSA-N
XLogP-1.00
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.15
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-2-methoxy-3-(trifluoromethyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4R,5R)-2-methoxy-3-(trifluoromethyl)oxane-3,4,5-triol (CID 11107194) is (2R,3R,4R,5R)-2-methoxy-3-(trifluoromethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4R,5R)-2-methoxy-3-(trifluoromethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4R,5R)-2-methoxy-3-(trifluoromethyl)oxane-3,4,5-triol is CO[C@@H]1OC[C@@H](O)[C@@H](O)[C@]1(O)C(F)(F)F.
What is the InChIKey of (2R,3R,4R,5R)-2-methoxy-3-(trifluoromethyl)oxane-3,4,5-triol?
The InChIKey is STFFISKKLNTXPG-KVTDHHQDSA-N. The full InChI is InChI=1S/C7H11F3O5/c1-14-5-6(13,7(8,9)10)4(12)3(11)2-15-5/h3-5,11-13H,2H2,1H3/t3-,4-,5-,6-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-2-methoxy-3-(trifluoromethyl)oxane-3,4,5-triol?
(2R,3R,4R,5R)-2-methoxy-3-(trifluoromethyl)oxane-3,4,5-triol has a molecular weight of 232.15 g/mol, XLogP of -1.00, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-2-methoxy-3-(trifluoromethyl)oxane-3,4,5-triol is sourced from PubChem (CID 11107194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).