[2-(4-hydroxyoxan-4-yl)-4-(trifluoromethyl)imidazol-1-yl] thiohypofluorite

C9H10F4N2O2S — CID 138716787

IUPAC[2-(4-hydroxyoxan-4-yl)-4-(trifluoromethyl)imidazol-1-yl] thiohypofluorite
SMILESOC1(c2nc(C(F)(F)F)cn2SF)CCOCC1
InChIInChI=1S/C9H10F4N2O2S/c10-9(11,12)6-5-15(18-13)7(14-6)8(16)1-3-17-4-2-8/h5,16H,1-4H2
InChIKeyUMZBZNBZBBOFMH-UHFFFAOYSA-N
MW286.25 g/mol
LogP2.28
Rot. Bonds2

About [2-(4-hydroxyoxan-4-yl)-4-(trifluoromethyl)imidazol-1-yl] thiohypofluorite

[2-(4-hydroxyoxan-4-yl)-4-(trifluoromethyl)imidazol-1-yl] thiohypofluorite (PubChem CID 138716787) has the molecular formula C9H10F4N2O2S and a molecular weight of 286.25 g/mol. Its IUPAC name is [2-(4-hydroxyoxan-4-yl)-4-(trifluoromethyl)imidazol-1-yl] thiohypofluorite.

Molecular Properties

Compound Name[2-(4-hydroxyoxan-4-yl)-4-(trifluoromethyl)imidazol-1-yl] thiohypofluorite
PubChem CID138716787
Molecular FormulaC9H10F4N2O2S
Molecular Weight286.25 g/mol
Exact Mass286.04
IUPAC Name[2-(4-hydroxyoxan-4-yl)-4-(trifluoromethyl)imidazol-1-yl] thiohypofluorite
SMILESOC1(c2nc(C(F)(F)F)cn2SF)CCOCC1
InChIInChI=1S/C9H10F4N2O2S/c10-9(11,12)6-5-15(18-13)7(14-6)8(16)1-3-17-4-2-8/h5,16H,1-4H2
InChIKeyUMZBZNBZBBOFMH-UHFFFAOYSA-N
XLogP2.28
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-hydroxyoxan-4-yl)-4-(trifluoromethyl)imidazol-1-yl] thiohypofluorite?
The IUPAC name of [2-(4-hydroxyoxan-4-yl)-4-(trifluoromethyl)imidazol-1-yl] thiohypofluorite (CID 138716787) is [2-(4-hydroxyoxan-4-yl)-4-(trifluoromethyl)imidazol-1-yl] thiohypofluorite.
What is the SMILES notation for [2-(4-hydroxyoxan-4-yl)-4-(trifluoromethyl)imidazol-1-yl] thiohypofluorite?
The canonical SMILES for [2-(4-hydroxyoxan-4-yl)-4-(trifluoromethyl)imidazol-1-yl] thiohypofluorite is OC1(c2nc(C(F)(F)F)cn2SF)CCOCC1.
What is the InChIKey of [2-(4-hydroxyoxan-4-yl)-4-(trifluoromethyl)imidazol-1-yl] thiohypofluorite?
The InChIKey is UMZBZNBZBBOFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F4N2O2S/c10-9(11,12)6-5-15(18-13)7(14-6)8(16)1-3-17-4-2-8/h5,16H,1-4H2.
What are the key properties of [2-(4-hydroxyoxan-4-yl)-4-(trifluoromethyl)imidazol-1-yl] thiohypofluorite?
[2-(4-hydroxyoxan-4-yl)-4-(trifluoromethyl)imidazol-1-yl] thiohypofluorite has a molecular weight of 286.25 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-hydroxyoxan-4-yl)-4-(trifluoromethyl)imidazol-1-yl] thiohypofluorite is sourced from PubChem (CID 138716787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).