ethane;2-propyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] thiohypofluorite

C16H25F4NO3S — CID 178007705

IUPACethane;2-propyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] thiohypofluorite
SMILESCC.CCCC1OCCC(O)C1O.FSc1cccc(C(F)(F)F)n1
InChIInChI=1S/C8H16O3.C6H3F4NS.C2H6/c1-2-3-7-8(10)6(9)4-5-11-7;7-6(8,9)4-2-1-3-5(11-4)12-10;1-2/h6-10H,2-5H2,1H3;1-3H;1-2H3
InChIKeyDSAWGZYDIXAZKF-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.40
Rot. Bonds3

About ethane;2-propyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] thiohypofluorite

ethane;2-propyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] thiohypofluorite (PubChem CID 178007705) has the molecular formula C16H25F4NO3S and a molecular weight of 387.44 g/mol. Its IUPAC name is ethane;2-propyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] thiohypofluorite.

Molecular Properties

Compound Nameethane;2-propyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] thiohypofluorite
PubChem CID178007705
Molecular FormulaC16H25F4NO3S
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Nameethane;2-propyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] thiohypofluorite
SMILESCC.CCCC1OCCC(O)C1O.FSc1cccc(C(F)(F)F)n1
InChIInChI=1S/C8H16O3.C6H3F4NS.C2H6/c1-2-3-7-8(10)6(9)4-5-11-7;7-6(8,9)4-2-1-3-5(11-4)12-10;1-2/h6-10H,2-5H2,1H3;1-3H;1-2H3
InChIKeyDSAWGZYDIXAZKF-UHFFFAOYSA-N
XLogP4.40
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)oxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
CID 171558141
(2R,3R,4S,5S)-2-ethyl-5-[[6-(trifluoromethyl)-2-pyridinyl]sulfanyl]oxane-3,4-diol
CID 171558503
2-(pyrazin-2-yloxymethyl)oxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
CID 171558546
N-(4-propylcyclohexyl)-6-(trifluoromethyl)pyridin-2-amine
CID 63541353
2-(phenoxymethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
CID 171557854
2-(1-methylpiperidin-4-yl)sulfanyl-6-(trifluoromethyl)pyridine
CID 110187081
(3R,4R,5S)-2-propyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 171771253
2-[4-[4-[4-[(3,4-dihydroxyoxan-2-yl)methoxy]cyclohexyl]oxy-3,5-dimethylphenoxy]phenyl]ethyl-methylazanide;ethane;rubidium(1+);6-(trifluoromethyl)pyridin-2-amine
CID 177015338
ethane;2-methyl-6-(trifluoromethyl)pyridine
CID 144746626
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4,5-triol
CID 138394701
2-butyl-6-(trifluoromethyl)pyridine
CID 126570654
2-(cyclobutylamino)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanol
CID 170592925

Frequently Asked Questions

What is the IUPAC name of ethane;2-propyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] thiohypofluorite?
The IUPAC name of ethane;2-propyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] thiohypofluorite (CID 178007705) is ethane;2-propyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] thiohypofluorite.
What is the SMILES notation for ethane;2-propyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] thiohypofluorite?
The canonical SMILES for ethane;2-propyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] thiohypofluorite is CC.CCCC1OCCC(O)C1O.FSc1cccc(C(F)(F)F)n1.
What is the InChIKey of ethane;2-propyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] thiohypofluorite?
The InChIKey is DSAWGZYDIXAZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3.C6H3F4NS.C2H6/c1-2-3-7-8(10)6(9)4-5-11-7;7-6(8,9)4-2-1-3-5(11-4)12-10;1-2/h6-10H,2-5H2,1H3;1-3H;1-2H3.
What are the key properties of ethane;2-propyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] thiohypofluorite?
ethane;2-propyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] thiohypofluorite has a molecular weight of 387.44 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-propyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] thiohypofluorite is sourced from PubChem (CID 178007705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).