O-[2-(difluoromethylsulfonyl)phenyl]hydroxylamine

C7H7F2NO3S — CID 79427810

IUPACO-[2-(difluoromethylsulfonyl)phenyl]hydroxylamine
SMILESNOc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C7H7F2NO3S/c8-7(9)14(11,12)6-4-2-1-3-5(6)13-10/h1-4,7H,10H2
InChIKeyVOTNKSCAROOFEG-UHFFFAOYSA-N
MW223.20 g/mol
LogP0.94
Rot. Bonds3

About O-[2-(difluoromethylsulfonyl)phenyl]hydroxylamine

O-[2-(difluoromethylsulfonyl)phenyl]hydroxylamine (PubChem CID 79427810) has the molecular formula C7H7F2NO3S and a molecular weight of 223.20 g/mol. Its IUPAC name is O-[2-(difluoromethylsulfonyl)phenyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(difluoromethylsulfonyl)phenyl]hydroxylamine
PubChem CID79427810
Molecular FormulaC7H7F2NO3S
Molecular Weight223.20 g/mol
Exact Mass223.01
IUPAC NameO-[2-(difluoromethylsulfonyl)phenyl]hydroxylamine
SMILESNOc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C7H7F2NO3S/c8-7(9)14(11,12)6-4-2-1-3-5(6)13-10/h1-4,7H,10H2
InChIKeyVOTNKSCAROOFEG-UHFFFAOYSA-N
XLogP0.94
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of O-[2-(difluoromethylsulfonyl)phenyl]hydroxylamine?
The IUPAC name of O-[2-(difluoromethylsulfonyl)phenyl]hydroxylamine (CID 79427810) is O-[2-(difluoromethylsulfonyl)phenyl]hydroxylamine.
What is the SMILES notation for O-[2-(difluoromethylsulfonyl)phenyl]hydroxylamine?
The canonical SMILES for O-[2-(difluoromethylsulfonyl)phenyl]hydroxylamine is NOc1ccccc1S(=O)(=O)C(F)F.
What is the InChIKey of O-[2-(difluoromethylsulfonyl)phenyl]hydroxylamine?
The InChIKey is VOTNKSCAROOFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO3S/c8-7(9)14(11,12)6-4-2-1-3-5(6)13-10/h1-4,7H,10H2.
What are the key properties of O-[2-(difluoromethylsulfonyl)phenyl]hydroxylamine?
O-[2-(difluoromethylsulfonyl)phenyl]hydroxylamine has a molecular weight of 223.20 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(difluoromethylsulfonyl)phenyl]hydroxylamine is sourced from PubChem (CID 79427810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).