2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2,2-difluoroacetohydrazide

C10H10F2N2O3S — CID 55212722

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2,2-difluoroacetohydrazide
SMILESNNC(=O)C(F)(F)Sc1ccc2c(c1)OCCO2
InChIInChI=1S/C10H10F2N2O3S/c11-10(12,9(15)14-13)18-6-1-2-7-8(5-6)17-4-3-16-7/h1-2,5H,3-4,13H2,(H,14,15)
InChIKeyTUPASRVGXHYFMM-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.13
Rot. Bonds3

About 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2,2-difluoroacetohydrazide

2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2,2-difluoroacetohydrazide (PubChem CID 55212722) has the molecular formula C10H10F2N2O3S and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2,2-difluoroacetohydrazide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2,2-difluoroacetohydrazide
PubChem CID55212722
Molecular FormulaC10H10F2N2O3S
Molecular Weight276.26 g/mol
Exact Mass276.04
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2,2-difluoroacetohydrazide
SMILESNNC(=O)C(F)(F)Sc1ccc2c(c1)OCCO2
InChIInChI=1S/C10H10F2N2O3S/c11-10(12,9(15)14-13)18-6-1-2-7-8(5-6)17-4-3-16-7/h1-2,5H,3-4,13H2,(H,14,15)
InChIKeyTUPASRVGXHYFMM-UHFFFAOYSA-N
XLogP1.13
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2,2-difluoroacetohydrazide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2,2-difluoroacetohydrazide (CID 55212722) is 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2,2-difluoroacetohydrazide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2,2-difluoroacetohydrazide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2,2-difluoroacetohydrazide is NNC(=O)C(F)(F)Sc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2,2-difluoroacetohydrazide?
The InChIKey is TUPASRVGXHYFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O3S/c11-10(12,9(15)14-13)18-6-1-2-7-8(5-6)17-4-3-16-7/h1-2,5H,3-4,13H2,(H,14,15).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2,2-difluoroacetohydrazide?
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2,2-difluoroacetohydrazide has a molecular weight of 276.26 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2,2-difluoroacetohydrazide is sourced from PubChem (CID 55212722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).