O-[4-(difluoromethylsulfonyl)phenyl]hydroxylamine

C7H7F2NO3S — CID 79421360

IUPACO-[4-(difluoromethylsulfonyl)phenyl]hydroxylamine
SMILESNOc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C7H7F2NO3S/c8-7(9)14(11,12)6-3-1-5(13-10)2-4-6/h1-4,7H,10H2
InChIKeyQVASRHHPMWTOMY-UHFFFAOYSA-N
MW223.20 g/mol
LogP0.94
Rot. Bonds3

About O-[4-(difluoromethylsulfonyl)phenyl]hydroxylamine

O-[4-(difluoromethylsulfonyl)phenyl]hydroxylamine (PubChem CID 79421360) has the molecular formula C7H7F2NO3S and a molecular weight of 223.20 g/mol. Its IUPAC name is O-[4-(difluoromethylsulfonyl)phenyl]hydroxylamine.

Molecular Properties

Compound NameO-[4-(difluoromethylsulfonyl)phenyl]hydroxylamine
PubChem CID79421360
Molecular FormulaC7H7F2NO3S
Molecular Weight223.20 g/mol
Exact Mass223.01
IUPAC NameO-[4-(difluoromethylsulfonyl)phenyl]hydroxylamine
SMILESNOc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C7H7F2NO3S/c8-7(9)14(11,12)6-3-1-5(13-10)2-4-6/h1-4,7H,10H2
InChIKeyQVASRHHPMWTOMY-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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Related Compounds

2-[4-(difluoromethylsulfonyl)phenoxy]ethanamine
CID 62349233
4-(difluoromethylsulfonyl)aniline
CID 825467
1-bromo-4-(difluoromethylsulfonyl)benzene
CID 19959949
1-(difluoromethylsulfonyl)-4-methylbenzene;fluoromethane
CID 143485097
3-[4-(difluoromethylsulfonyl)phenyl]butan-2-amine
CID 63198079
CID 162598602
CID 162598602
4-(difluoromethylsulfonyl)benzohydrazide
CID 703325
O-[2-(difluoromethylsulfonyl)phenyl]hydroxylamine
CID 79427810
4-(difluoromethylsulfonyl)-N-propan-2-ylaniline
CID 43455286
4-(difluoromethoxy)benzenesulfonate
CID 150290603
5-(difluoromethylsulfonyl)-2-methoxyaniline
CID 3374971
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 4-(difluoromethylsulfonyl)benzoate
CID 2499352

Frequently Asked Questions

What is the IUPAC name of O-[4-(difluoromethylsulfonyl)phenyl]hydroxylamine?
The IUPAC name of O-[4-(difluoromethylsulfonyl)phenyl]hydroxylamine (CID 79421360) is O-[4-(difluoromethylsulfonyl)phenyl]hydroxylamine.
What is the SMILES notation for O-[4-(difluoromethylsulfonyl)phenyl]hydroxylamine?
The canonical SMILES for O-[4-(difluoromethylsulfonyl)phenyl]hydroxylamine is NOc1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of O-[4-(difluoromethylsulfonyl)phenyl]hydroxylamine?
The InChIKey is QVASRHHPMWTOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO3S/c8-7(9)14(11,12)6-3-1-5(13-10)2-4-6/h1-4,7H,10H2.
What are the key properties of O-[4-(difluoromethylsulfonyl)phenyl]hydroxylamine?
O-[4-(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-[4-(difluoromethylsulfonyl)phenyl]hydroxylamine is sourced from PubChem (CID 79421360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).