(5R,6R,7R)-5-(hydroxymethyl)-2-(trifluoromethyl)-6,7-dihydro-5H-pyrano[3,2-d][1,3]oxazole-6,7-diol

C8H8F3NO5 — CID 167524314

IUPAC(5R,6R,7R)-5-(hydroxymethyl)-2-(trifluoromethyl)-6,7-dihydro-5H-pyrano[3,2-d][1,3]oxazole-6,7-diol
SMILESOC[C@H]1Oc2oc(C(F)(F)F)nc2[C@@H](O)[C@H]1O
InChIInChI=1S/C8H8F3NO5/c9-8(10,11)7-12-3-5(15)4(14)2(1-13)16-6(3)17-7/h2,4-5,13-15H,1H2/t2-,4+,5-/m1/s1
InChIKeyUJIBGNAZDKEMEY-UCZIYFJWSA-N
MW255.15 g/mol
LogP-0.16
Rot. Bonds1

About (5R,6R,7R)-5-(hydroxymethyl)-2-(trifluoromethyl)-6,7-dihydro-5H-pyrano[3,2-d][1,3]oxazole-6,7-diol

(5R,6R,7R)-5-(hydroxymethyl)-2-(trifluoromethyl)-6,7-dihydro-5H-pyrano[3,2-d][1,3]oxazole-6,7-diol (PubChem CID 167524314) has the molecular formula C8H8F3NO5 and a molecular weight of 255.15 g/mol. Its IUPAC name is (5R,6R,7R)-5-(hydroxymethyl)-2-(trifluoromethyl)-6,7-dihydro-5H-pyrano[3,2-d][1,3]oxazole-6,7-diol.

Molecular Properties

Compound Name(5R,6R,7R)-5-(hydroxymethyl)-2-(trifluoromethyl)-6,7-dihydro-5H-pyrano[3,2-d][1,3]oxazole-6,7-diol
PubChem CID167524314
Molecular FormulaC8H8F3NO5
Molecular Weight255.15 g/mol
Exact Mass255.04
IUPAC Name(5R,6R,7R)-5-(hydroxymethyl)-2-(trifluoromethyl)-6,7-dihydro-5H-pyrano[3,2-d][1,3]oxazole-6,7-diol
SMILESOC[C@H]1Oc2oc(C(F)(F)F)nc2[C@@H](O)[C@H]1O
InChIInChI=1S/C8H8F3NO5/c9-8(10,11)7-12-3-5(15)4(14)2(1-13)16-6(3)17-7/h2,4-5,13-15H,1H2/t2-,4+,5-/m1/s1
InChIKeyUJIBGNAZDKEMEY-UCZIYFJWSA-N
XLogP-0.16
TPSA95.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5R,6R,7R)-5-(hydroxymethyl)-2-(trifluoromethyl)-6,7-dihydro-5H-pyrano[3,2-d][1,3]oxazole-6,7-diol?
The IUPAC name of (5R,6R,7R)-5-(hydroxymethyl)-2-(trifluoromethyl)-6,7-dihydro-5H-pyrano[3,2-d][1,3]oxazole-6,7-diol (CID 167524314) is (5R,6R,7R)-5-(hydroxymethyl)-2-(trifluoromethyl)-6,7-dihydro-5H-pyrano[3,2-d][1,3]oxazole-6,7-diol.
What is the SMILES notation for (5R,6R,7R)-5-(hydroxymethyl)-2-(trifluoromethyl)-6,7-dihydro-5H-pyrano[3,2-d][1,3]oxazole-6,7-diol?
The canonical SMILES for (5R,6R,7R)-5-(hydroxymethyl)-2-(trifluoromethyl)-6,7-dihydro-5H-pyrano[3,2-d][1,3]oxazole-6,7-diol is OC[C@H]1Oc2oc(C(F)(F)F)nc2[C@@H](O)[C@H]1O.
What is the InChIKey of (5R,6R,7R)-5-(hydroxymethyl)-2-(trifluoromethyl)-6,7-dihydro-5H-pyrano[3,2-d][1,3]oxazole-6,7-diol?
The InChIKey is UJIBGNAZDKEMEY-UCZIYFJWSA-N. The full InChI is InChI=1S/C8H8F3NO5/c9-8(10,11)7-12-3-5(15)4(14)2(1-13)16-6(3)17-7/h2,4-5,13-15H,1H2/t2-,4+,5-/m1/s1.
What are the key properties of (5R,6R,7R)-5-(hydroxymethyl)-2-(trifluoromethyl)-6,7-dihydro-5H-pyrano[3,2-d][1,3]oxazole-6,7-diol?
(5R,6R,7R)-5-(hydroxymethyl)-2-(trifluoromethyl)-6,7-dihydro-5H-pyrano[3,2-d][1,3]oxazole-6,7-diol has a molecular weight of 255.15 g/mol, XLogP of -0.16, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R,7R)-5-(hydroxymethyl)-2-(trifluoromethyl)-6,7-dihydro-5H-pyrano[3,2-d][1,3]oxazole-6,7-diol is sourced from PubChem (CID 167524314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).