ethane;2-ethyl-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol

C15H23F3N2O3 — CID 176953319

IUPACethane;2-ethyl-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
SMILESCC.CCC1OCC(Nc2cccc(C(F)(F)F)n2)C(O)C1O
InChIInChI=1S/C13H17F3N2O3.C2H6/c1-2-8-12(20)11(19)7(6-21-8)17-10-5-3-4-9(18-10)13(14,15)16;1-2/h3-5,7-8,11-12,19-20H,2,6H2,1H3,(H,17,18);1-2H3
InChIKeyOEOVLUFRZQTUGK-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.44
Rot. Bonds3

About ethane;2-ethyl-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol

ethane;2-ethyl-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol (PubChem CID 176953319) has the molecular formula C15H23F3N2O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is ethane;2-ethyl-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol.

Molecular Properties

Compound Nameethane;2-ethyl-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
PubChem CID176953319
Molecular FormulaC15H23F3N2O3
Molecular Weight336.35 g/mol
Exact Mass336.17
IUPAC Nameethane;2-ethyl-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
SMILESCC.CCC1OCC(Nc2cccc(C(F)(F)F)n2)C(O)C1O
InChIInChI=1S/C13H17F3N2O3.C2H6/c1-2-8-12(20)11(19)7(6-21-8)17-10-5-3-4-9(18-10)13(14,15)16;1-2/h3-5,7-8,11-12,19-20H,2,6H2,1H3,(H,17,18);1-2H3
InChIKeyOEOVLUFRZQTUGK-UHFFFAOYSA-N
XLogP2.44
TPSA74.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-((6-(Trifluoromethyl)pyridin-2-yl)amino)propane-1,3-diol
CID 65314262
3-[[6-(Trifluoromethyl)-2-pyridinyl]amino]butan-1-ol
CID 72003580
(2R,3R,4R,5R,6R)-5-[(6-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 156818522
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[4-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
CID 165180199
(2R,3R,4R,5S)-5-[(3,5-difluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol
CID 166975282
(2R,3R,4R,5R,6S)-5-[(6-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 167408457
(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-methoxy-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
CID 167408673
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
CID 167408811
N-[(4-methoxyoxan-4-yl)methyl]-6-methylpyridin-2-amine
CID 91660937
1,5-anhydro-4-[(5-cyano-4,6-dimethylpyridin-2-yl)amino]-2,4-dideoxy-3-O-(2-hydroxyethyl)-D-erythro-pentitol
CID 91771685
(2S)-1-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]hex-5-en-2-ol
CID 97321079
(3S)-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperidin-3-ol
CID 171359887

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol?
The IUPAC name of ethane;2-ethyl-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol (CID 176953319) is ethane;2-ethyl-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol.
What is the SMILES notation for ethane;2-ethyl-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol?
The canonical SMILES for ethane;2-ethyl-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol is CC.CCC1OCC(Nc2cccc(C(F)(F)F)n2)C(O)C1O.
What is the InChIKey of ethane;2-ethyl-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol?
The InChIKey is OEOVLUFRZQTUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3.C2H6/c1-2-8-12(20)11(19)7(6-21-8)17-10-5-3-4-9(18-10)13(14,15)16;1-2/h3-5,7-8,11-12,19-20H,2,6H2,1H3,(H,17,18);1-2H3.
What are the key properties of ethane;2-ethyl-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol?
ethane;2-ethyl-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol has a molecular weight of 336.35 g/mol, XLogP of 2.44, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol is sourced from PubChem (CID 176953319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).