[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl] thiohypochlorite

C6H7ClF2N2S — CID 164872261

IUPAC[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl] thiohypochlorite
SMILESCc1c(SCl)cnn1CC(F)F
InChIInChI=1S/C6H7ClF2N2S/c1-4-5(12-7)2-10-11(4)3-6(8)9/h2,6H,3H2,1H3
InChIKeyGWOSVNYQGSIGTF-UHFFFAOYSA-N
MW212.65 g/mol
LogP2.70
Rot. Bonds3

About [1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl] thiohypochlorite

[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl] thiohypochlorite (PubChem CID 164872261) has the molecular formula C6H7ClF2N2S and a molecular weight of 212.65 g/mol. Its IUPAC name is [1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl] thiohypochlorite.

Molecular Properties

Compound Name[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl] thiohypochlorite
PubChem CID164872261
Molecular FormulaC6H7ClF2N2S
Molecular Weight212.65 g/mol
Exact Mass212.00
IUPAC Name[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl] thiohypochlorite
SMILESCc1c(SCl)cnn1CC(F)F
InChIInChI=1S/C6H7ClF2N2S/c1-4-5(12-7)2-10-11(4)3-6(8)9/h2,6H,3H2,1H3
InChIKeyGWOSVNYQGSIGTF-UHFFFAOYSA-N
XLogP2.70
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.65
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl] thiohypochlorite?
The IUPAC name of [1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl] thiohypochlorite (CID 164872261) is [1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl] thiohypochlorite.
What is the SMILES notation for [1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl] thiohypochlorite?
The canonical SMILES for [1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl] thiohypochlorite is Cc1c(SCl)cnn1CC(F)F.
What is the InChIKey of [1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl] thiohypochlorite?
The InChIKey is GWOSVNYQGSIGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClF2N2S/c1-4-5(12-7)2-10-11(4)3-6(8)9/h2,6H,3H2,1H3.
What are the key properties of [1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl] thiohypochlorite?
[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl] thiohypochlorite has a molecular weight of 212.65 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl] thiohypochlorite is sourced from PubChem (CID 164872261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).