ethane;2-ethyloxane-3,4-diol;[6-(trifluoromethyl)pyrazin-2-yl] thiohypofluorite

C14H22F4N2O3S — CID 171558295

IUPACethane;2-ethyloxane-3,4-diol;[6-(trifluoromethyl)pyrazin-2-yl] thiohypofluorite
SMILESCC.CCC1OCCC(O)C1O.FSc1cncc(C(F)(F)F)n1
InChIInChI=1S/C7H14O3.C5H2F4N2S.C2H6/c1-2-6-7(9)5(8)3-4-10-6;6-5(7,8)3-1-10-2-4(11-3)12-9;1-2/h5-9H,2-4H2,1H3;1-2H;1-2H3
InChIKeyPNVVQUAXTOMNHN-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.41
Rot. Bonds2

About ethane;2-ethyloxane-3,4-diol;[6-(trifluoromethyl)pyrazin-2-yl] thiohypofluorite

ethane;2-ethyloxane-3,4-diol;[6-(trifluoromethyl)pyrazin-2-yl] thiohypofluorite (PubChem CID 171558295) has the molecular formula C14H22F4N2O3S and a molecular weight of 374.40 g/mol. Its IUPAC name is ethane;2-ethyloxane-3,4-diol;[6-(trifluoromethyl)pyrazin-2-yl] thiohypofluorite.

Molecular Properties

Compound Nameethane;2-ethyloxane-3,4-diol;[6-(trifluoromethyl)pyrazin-2-yl] thiohypofluorite
PubChem CID171558295
Molecular FormulaC14H22F4N2O3S
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Nameethane;2-ethyloxane-3,4-diol;[6-(trifluoromethyl)pyrazin-2-yl] thiohypofluorite
SMILESCC.CCC1OCCC(O)C1O.FSc1cncc(C(F)(F)F)n1
InChIInChI=1S/C7H14O3.C5H2F4N2S.C2H6/c1-2-6-7(9)5(8)3-4-10-6;6-5(7,8)3-1-10-2-4(11-3)12-9;1-2/h5-9H,2-4H2,1H3;1-2H;1-2H3
InChIKeyPNVVQUAXTOMNHN-UHFFFAOYSA-N
XLogP3.41
TPSA75.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(Hydroxymethyl)oxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine
CID 171556621
Ethane;6-methyloxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine
CID 171557150
(2R,3R,4S)-2-propyl-5-[6-(trifluoromethyl)pyrazin-2-yl]sulfonyloxane-3,4-diol
CID 171557312
(2R,3R,4S,5S)-2-propyl-5-[6-(trifluoromethyl)pyrazin-2-yl]sulfanyloxane-3,4-diol
CID 171557507
2-Methyl-6-(trifluoromethyl)pyrazine;2-propan-2-yloxane-3,4-diol
CID 171557584
2-Methyl-6-(trifluoromethyl)pyrazine;2-propyloxane-3,4-diol
CID 171558839
(2R,3R,4S,5S)-2-(hydroxymethyl)-5-[6-(trifluoromethyl)pyrazin-2-yl]sulfanyloxane-3,4-diol
CID 171558901
(2R,3R,4S)-2-propyl-5-[6-(trifluoromethyl)pyrazin-2-yl]sulfanyloxane-3,4-diol
CID 178007649
(3S,4S,5R)-6-ethyl-5-[6-(trifluoromethyl)pyrazin-2-yl]sulfanyloxane-3,4-diol
CID 178007882
2-Propyl-5-[6-(trifluoromethyl)pyrazin-2-yl]sulfinyloxane-3,4-diol
CID 178008109
2-Methyl-6-(trifluoromethyl)pyrazine;2-(propan-2-yloxymethyl)oxane-3,4-diol
CID 178008275
(2R,3R,4S)-2-(2-methylpropyl)-5-[6-(trifluoromethyl)pyrazin-2-yl]sulfanyloxane-3,4-diol
CID 178008304

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyloxane-3,4-diol;[6-(trifluoromethyl)pyrazin-2-yl] thiohypofluorite?
The IUPAC name of ethane;2-ethyloxane-3,4-diol;[6-(trifluoromethyl)pyrazin-2-yl] thiohypofluorite (CID 171558295) is ethane;2-ethyloxane-3,4-diol;[6-(trifluoromethyl)pyrazin-2-yl] thiohypofluorite.
What is the SMILES notation for ethane;2-ethyloxane-3,4-diol;[6-(trifluoromethyl)pyrazin-2-yl] thiohypofluorite?
The canonical SMILES for ethane;2-ethyloxane-3,4-diol;[6-(trifluoromethyl)pyrazin-2-yl] thiohypofluorite is CC.CCC1OCCC(O)C1O.FSc1cncc(C(F)(F)F)n1.
What is the InChIKey of ethane;2-ethyloxane-3,4-diol;[6-(trifluoromethyl)pyrazin-2-yl] thiohypofluorite?
The InChIKey is PNVVQUAXTOMNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3.C5H2F4N2S.C2H6/c1-2-6-7(9)5(8)3-4-10-6;6-5(7,8)3-1-10-2-4(11-3)12-9;1-2/h5-9H,2-4H2,1H3;1-2H;1-2H3.
What are the key properties of ethane;2-ethyloxane-3,4-diol;[6-(trifluoromethyl)pyrazin-2-yl] thiohypofluorite?
ethane;2-ethyloxane-3,4-diol;[6-(trifluoromethyl)pyrazin-2-yl] thiohypofluorite has a molecular weight of 374.40 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyloxane-3,4-diol;[6-(trifluoromethyl)pyrazin-2-yl] thiohypofluorite is sourced from PubChem (CID 171558295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).