2-(1,3-benzodioxol-4-yl)-1,1-difluorohydrazine

C7H6F2N2O2 — CID 87397533

IUPAC2-(1,3-benzodioxol-4-yl)-1,1-difluorohydrazine
SMILESFN(F)Nc1cccc2c1OCO2
InChIInChI=1S/C7H6F2N2O2/c8-11(9)10-5-2-1-3-6-7(5)13-4-12-6/h1-3,10H,4H2
InChIKeyCGSYKEGOVWIHLD-UHFFFAOYSA-N
MW188.13 g/mol
LogP1.81
Rot. Bonds2

About 2-(1,3-benzodioxol-4-yl)-1,1-difluorohydrazine

2-(1,3-benzodioxol-4-yl)-1,1-difluorohydrazine (PubChem CID 87397533) has the molecular formula C7H6F2N2O2 and a molecular weight of 188.13 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-4-yl)-1,1-difluorohydrazine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-4-yl)-1,1-difluorohydrazine
PubChem CID87397533
Molecular FormulaC7H6F2N2O2
Molecular Weight188.13 g/mol
Exact Mass188.04
IUPAC Name2-(1,3-benzodioxol-4-yl)-1,1-difluorohydrazine
SMILESFN(F)Nc1cccc2c1OCO2
InChIInChI=1S/C7H6F2N2O2/c8-11(9)10-5-2-1-3-6-7(5)13-4-12-6/h1-3,10H,4H2
InChIKeyCGSYKEGOVWIHLD-UHFFFAOYSA-N
XLogP1.81
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.13
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', '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-(1,3-benzodioxol-4-yl)-1,1-difluorohydrazine?
The IUPAC name of 2-(1,3-benzodioxol-4-yl)-1,1-difluorohydrazine (CID 87397533) is 2-(1,3-benzodioxol-4-yl)-1,1-difluorohydrazine.
What is the SMILES notation for 2-(1,3-benzodioxol-4-yl)-1,1-difluorohydrazine?
The canonical SMILES for 2-(1,3-benzodioxol-4-yl)-1,1-difluorohydrazine is FN(F)Nc1cccc2c1OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-4-yl)-1,1-difluorohydrazine?
The InChIKey is CGSYKEGOVWIHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O2/c8-11(9)10-5-2-1-3-6-7(5)13-4-12-6/h1-3,10H,4H2.
What are the key properties of 2-(1,3-benzodioxol-4-yl)-1,1-difluorohydrazine?
2-(1,3-benzodioxol-4-yl)-1,1-difluorohydrazine has a molecular weight of 188.13 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-4-yl)-1,1-difluorohydrazine is sourced from PubChem (CID 87397533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).