(3R,4R,5R,6R)-6-ethyl-3-(trifluoromethyl)oxane-2,4,5-triol

C8H13F3O4 — CID 174153734

IUPAC(3R,4R,5R,6R)-6-ethyl-3-(trifluoromethyl)oxane-2,4,5-triol
SMILESCC[C@H]1OC(O)[C@H](C(F)(F)F)[C@@H](O)[C@H]1O
InChIInChI=1S/C8H13F3O4/c1-2-3-5(12)6(13)4(7(14)15-3)8(9,10)11/h3-7,12-14H,2H2,1H3/t3-,4-,5+,6-,7?/m1/s1
InChIKeyOUNBWDUTIIJMND-WLDMJGECSA-N
MW230.18 g/mol
LogP0.01
Rot. Bonds1

About (3R,4R,5R,6R)-6-ethyl-3-(trifluoromethyl)oxane-2,4,5-triol

(3R,4R,5R,6R)-6-ethyl-3-(trifluoromethyl)oxane-2,4,5-triol (PubChem CID 174153734) has the molecular formula C8H13F3O4 and a molecular weight of 230.18 g/mol. Its IUPAC name is (3R,4R,5R,6R)-6-ethyl-3-(trifluoromethyl)oxane-2,4,5-triol.

Molecular Properties

Compound Name(3R,4R,5R,6R)-6-ethyl-3-(trifluoromethyl)oxane-2,4,5-triol
PubChem CID174153734
Molecular FormulaC8H13F3O4
Molecular Weight230.18 g/mol
Exact Mass230.08
IUPAC Name(3R,4R,5R,6R)-6-ethyl-3-(trifluoromethyl)oxane-2,4,5-triol
SMILESCC[C@H]1OC(O)[C@H](C(F)(F)F)[C@@H](O)[C@H]1O
InChIInChI=1S/C8H13F3O4/c1-2-3-5(12)6(13)4(7(14)15-3)8(9,10)11/h3-7,12-14H,2H2,1H3/t3-,4-,5+,6-,7?/m1/s1
InChIKeyOUNBWDUTIIJMND-WLDMJGECSA-N
XLogP0.01
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.18
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R,6R)-6-ethyl-3-(trifluoromethyl)oxane-2,4,5-triol?
The IUPAC name of (3R,4R,5R,6R)-6-ethyl-3-(trifluoromethyl)oxane-2,4,5-triol (CID 174153734) is (3R,4R,5R,6R)-6-ethyl-3-(trifluoromethyl)oxane-2,4,5-triol.
What is the SMILES notation for (3R,4R,5R,6R)-6-ethyl-3-(trifluoromethyl)oxane-2,4,5-triol?
The canonical SMILES for (3R,4R,5R,6R)-6-ethyl-3-(trifluoromethyl)oxane-2,4,5-triol is CC[C@H]1OC(O)[C@H](C(F)(F)F)[C@@H](O)[C@H]1O.
What is the InChIKey of (3R,4R,5R,6R)-6-ethyl-3-(trifluoromethyl)oxane-2,4,5-triol?
The InChIKey is OUNBWDUTIIJMND-WLDMJGECSA-N. The full InChI is InChI=1S/C8H13F3O4/c1-2-3-5(12)6(13)4(7(14)15-3)8(9,10)11/h3-7,12-14H,2H2,1H3/t3-,4-,5+,6-,7?/m1/s1.
What are the key properties of (3R,4R,5R,6R)-6-ethyl-3-(trifluoromethyl)oxane-2,4,5-triol?
(3R,4R,5R,6R)-6-ethyl-3-(trifluoromethyl)oxane-2,4,5-triol has a molecular weight of 230.18 g/mol, XLogP of 0.01, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R,6R)-6-ethyl-3-(trifluoromethyl)oxane-2,4,5-triol is sourced from PubChem (CID 174153734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).