(2R,3R,4R,5S)-2-ethyl-5-[[6-(trifluoromethoxy)-2-pyridinyl]amino]oxane-3,4-diol

C13H17F3N2O4 — CID 178007603

IUPAC(2R,3R,4R,5S)-2-ethyl-5-[[6-(trifluoromethoxy)-2-pyridinyl]amino]oxane-3,4-diol
SMILESCC[C@H]1OC[C@H](Nc2cccc(OC(F)(F)F)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C13H17F3N2O4/c1-2-8-12(20)11(19)7(6-21-8)17-9-4-3-5-10(18-9)22-13(14,15)16/h3-5,7-8,11-12,19-20H,2,6H2,1H3,(H,17,18)/t7-,8+,11+,12-/m0/s1
InChIKeyDMEKOOLEXNGIGX-MDSNHJATSA-N
MW322.28 g/mol
LogP1.29
Rot. Bonds4

About (2R,3R,4R,5S)-2-ethyl-5-[[6-(trifluoromethoxy)-2-pyridinyl]amino]oxane-3,4-diol

(2R,3R,4R,5S)-2-ethyl-5-[[6-(trifluoromethoxy)-2-pyridinyl]amino]oxane-3,4-diol (PubChem CID 178007603) has the molecular formula C13H17F3N2O4 and a molecular weight of 322.28 g/mol. Its IUPAC name is (2R,3R,4R,5S)-2-ethyl-5-[[6-(trifluoromethoxy)-2-pyridinyl]amino]oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-2-ethyl-5-[[6-(trifluoromethoxy)-2-pyridinyl]amino]oxane-3,4-diol
PubChem CID178007603
Molecular FormulaC13H17F3N2O4
Molecular Weight322.28 g/mol
Exact Mass322.11
IUPAC Name(2R,3R,4R,5S)-2-ethyl-5-[[6-(trifluoromethoxy)-2-pyridinyl]amino]oxane-3,4-diol
SMILESCC[C@H]1OC[C@H](Nc2cccc(OC(F)(F)F)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C13H17F3N2O4/c1-2-8-12(20)11(19)7(6-21-8)17-9-4-3-5-10(18-9)22-13(14,15)16/h3-5,7-8,11-12,19-20H,2,6H2,1H3,(H,17,18)/t7-,8+,11+,12-/m0/s1
InChIKeyDMEKOOLEXNGIGX-MDSNHJATSA-N
XLogP1.29
TPSA83.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.28
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R,3R,4R,5S)-2-ethyl-5-[[6-(trifluoromethoxy)-2-pyridinyl]amino]oxane-3,4-diol with MolForge

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Launch Full Analysis

Related Compounds

1-[(2S)-2-[(2S,5R)-5-aminooxan-2-yl]-2-hydroxyethyl]-3-fluoro-7-methoxy-1,8-naphthyridin-2-one
CID 66734328
(2R,3R,4R,5S)-2-(methoxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
CID 171400168
(2R,3R,4R,5S)-2-[[4-(4-ethylphenyl)phenoxy]methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
CID 171556768
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[4-methoxy-6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
CID 171557338
(2R,3R,4R,5S)-5-[[6-(difluoromethoxy)-2-pyridinyl]amino]-2-(hydroxymethyl)oxane-3,4-diol
CID 171557487
(2R,3R,4R,5S)-2-[(4-phenylphenoxy)methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
CID 171557699
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[6-(trifluoromethoxy)-2-pyridinyl]amino]oxane-3,4-diol
CID 171557751
(2R,3R,4R,5S)-2-(phenoxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
CID 171557820
(2R,3R,4R,5S)-2-[(4-bromophenoxy)methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
CID 171558228
(2R,3R,4R,5S)-5-[[6-(trifluoromethoxy)-2-pyridinyl]amino]-2-[[6-(trifluoromethoxy)-2-pyridinyl]oxymethyl]oxane-3,4-diol
CID 171558379
Ethane;2-ethyl-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
CID 176953319
(2R,3R,4R)-2-ethyl-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
CID 176953551

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-2-ethyl-5-[[6-(trifluoromethoxy)-2-pyridinyl]amino]oxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5S)-2-ethyl-5-[[6-(trifluoromethoxy)-2-pyridinyl]amino]oxane-3,4-diol (CID 178007603) is (2R,3R,4R,5S)-2-ethyl-5-[[6-(trifluoromethoxy)-2-pyridinyl]amino]oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5S)-2-ethyl-5-[[6-(trifluoromethoxy)-2-pyridinyl]amino]oxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5S)-2-ethyl-5-[[6-(trifluoromethoxy)-2-pyridinyl]amino]oxane-3,4-diol is CC[C@H]1OC[C@H](Nc2cccc(OC(F)(F)F)n2)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R,5S)-2-ethyl-5-[[6-(trifluoromethoxy)-2-pyridinyl]amino]oxane-3,4-diol?
The InChIKey is DMEKOOLEXNGIGX-MDSNHJATSA-N. The full InChI is InChI=1S/C13H17F3N2O4/c1-2-8-12(20)11(19)7(6-21-8)17-9-4-3-5-10(18-9)22-13(14,15)16/h3-5,7-8,11-12,19-20H,2,6H2,1H3,(H,17,18)/t7-,8+,11+,12-/m0/s1.
What are the key properties of (2R,3R,4R,5S)-2-ethyl-5-[[6-(trifluoromethoxy)-2-pyridinyl]amino]oxane-3,4-diol?
(2R,3R,4R,5S)-2-ethyl-5-[[6-(trifluoromethoxy)-2-pyridinyl]amino]oxane-3,4-diol has a molecular weight of 322.28 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-2-ethyl-5-[[6-(trifluoromethoxy)-2-pyridinyl]amino]oxane-3,4-diol is sourced from PubChem (CID 178007603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).