ethane;[3-(4-fluorophenyl)-4-methylpyrazol-1-yl] thiohypofluorite

C12H14F2N2S — CID 145448851

IUPACethane;[3-(4-fluorophenyl)-4-methylpyrazol-1-yl] thiohypofluorite
SMILESCC.Cc1cn(SF)nc1-c1ccc(F)cc1
InChIInChI=1S/C10H8F2N2S.C2H6/c1-7-6-14(15-12)13-10(7)8-2-4-9(11)5-3-8;1-2/h2-6H,1H3;1-2H3
InChIKeyWBHIZRYQNBNEKZ-UHFFFAOYSA-N
MW256.32 g/mol
LogP4.40
Rot. Bonds2

About ethane;[3-(4-fluorophenyl)-4-methylpyrazol-1-yl] thiohypofluorite

ethane;[3-(4-fluorophenyl)-4-methylpyrazol-1-yl] thiohypofluorite (PubChem CID 145448851) has the molecular formula C12H14F2N2S and a molecular weight of 256.32 g/mol. Its IUPAC name is ethane;[3-(4-fluorophenyl)-4-methylpyrazol-1-yl] thiohypofluorite.

Molecular Properties

Compound Nameethane;[3-(4-fluorophenyl)-4-methylpyrazol-1-yl] thiohypofluorite
PubChem CID145448851
Molecular FormulaC12H14F2N2S
Molecular Weight256.32 g/mol
Exact Mass256.08
IUPAC Nameethane;[3-(4-fluorophenyl)-4-methylpyrazol-1-yl] thiohypofluorite
SMILESCC.Cc1cn(SF)nc1-c1ccc(F)cc1
InChIInChI=1S/C10H8F2N2S.C2H6/c1-7-6-14(15-12)13-10(7)8-2-4-9(11)5-3-8;1-2/h2-6H,1H3;1-2H3
InChIKeyWBHIZRYQNBNEKZ-UHFFFAOYSA-N
XLogP4.40
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazol-1-yl] thiohypofluorite
CID 145448708
2,3,5,6-tetrakis(4-fluorophenyl)pyrazine
CID 132966321
6-[4-(4-fluorophenyl)phenyl]-2,5-dimethylpyridazin-3-one
CID 20569973
2-chloro-4-(4-fluorophenyl)-5-methylpyrimidine
CID 79072654
3,5-bis(4-fluorophenyl)-4-methyl-1H-pyrazole
CID 19587640
1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-ol
CID 99938045
1,3,5-tris(4-fluorophenyl)-4-methylpyrazole
CID 19587590
4-ethyl-3-(4-fluorophenyl)-1-(2-methylphenyl)pyrazole
CID 141089638
[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methanol
CID 39095873
6-bromo-2-(4-fluorophenyl)-3,8-dimethylimidazo[1,2-a]pyridine
CID 83170660
[3-(4-fluorophenyl)-1-(2-methylphenyl)pyrazol-4-yl]methanol
CID 3793270
2-(4-fluorophenyl)-1-methylimidazol-4-ol
CID 106952412

Frequently Asked Questions

What is the IUPAC name of ethane;[3-(4-fluorophenyl)-4-methylpyrazol-1-yl] thiohypofluorite?
The IUPAC name of ethane;[3-(4-fluorophenyl)-4-methylpyrazol-1-yl] thiohypofluorite (CID 145448851) is ethane;[3-(4-fluorophenyl)-4-methylpyrazol-1-yl] thiohypofluorite.
What is the SMILES notation for ethane;[3-(4-fluorophenyl)-4-methylpyrazol-1-yl] thiohypofluorite?
The canonical SMILES for ethane;[3-(4-fluorophenyl)-4-methylpyrazol-1-yl] thiohypofluorite is CC.Cc1cn(SF)nc1-c1ccc(F)cc1.
What is the InChIKey of ethane;[3-(4-fluorophenyl)-4-methylpyrazol-1-yl] thiohypofluorite?
The InChIKey is WBHIZRYQNBNEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2S.C2H6/c1-7-6-14(15-12)13-10(7)8-2-4-9(11)5-3-8;1-2/h2-6H,1H3;1-2H3.
What are the key properties of ethane;[3-(4-fluorophenyl)-4-methylpyrazol-1-yl] thiohypofluorite?
ethane;[3-(4-fluorophenyl)-4-methylpyrazol-1-yl] thiohypofluorite has a molecular weight of 256.32 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[3-(4-fluorophenyl)-4-methylpyrazol-1-yl] thiohypofluorite is sourced from PubChem (CID 145448851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).