O-(2,3,4,5,6-pentafluorophenyl)hydroxylamine

C6H2F5NO — CID 22968872

IUPACO-(2,3,4,5,6-pentafluorophenyl)hydroxylamine
SMILESNOc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C6H2F5NO/c7-1-2(8)4(10)6(13-12)5(11)3(1)9/h12H2
InChIKeyAUPSECUITDVBHD-UHFFFAOYSA-N
MW199.08 g/mol
LogP1.63
Rot. Bonds1

About O-(2,3,4,5,6-pentafluorophenyl)hydroxylamine

O-(2,3,4,5,6-pentafluorophenyl)hydroxylamine (PubChem CID 22968872) has the molecular formula C6H2F5NO and a molecular weight of 199.08 g/mol. Its IUPAC name is O-(2,3,4,5,6-pentafluorophenyl)hydroxylamine.

Molecular Properties

Compound NameO-(2,3,4,5,6-pentafluorophenyl)hydroxylamine
PubChem CID22968872
Molecular FormulaC6H2F5NO
Molecular Weight199.08 g/mol
Exact Mass199.01
IUPAC NameO-(2,3,4,5,6-pentafluorophenyl)hydroxylamine
SMILESNOc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C6H2F5NO/c7-1-2(8)4(10)6(13-12)5(11)3(1)9/h12H2
InChIKeyAUPSECUITDVBHD-UHFFFAOYSA-N
XLogP1.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.08
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Pentafluorophenol
CID 13041
2,3,4,5,6-Pentafluorophenyl sulfamate
CID 11021701
Bis(perfluorophenyl) sulfite
CID 13341016
Phenol, 2,3,4,5,6-pentafluoro-, potassium salt (1:1)
CID 23663640
Pentafluorophen(ol-d)
CID 16212660
Sodium pentafluorophenolate
CID 3394937
2,3,4,5,6-Pentafluorophenolate
CID 12167465
2,3,5,6-Tetrafluorophenolate
CID 14471938
Dimethylaluminium pentafluorophenoxide
CID 16706506
O-(3,5-difluorophenyl)hydroxylamine
CID 15326531
Dichloro-(2,3,4,5,6-pentafluorophenoxy)phosphane
CID 15685188
Thallium perfluorophenoxide
CID 16692277

Frequently Asked Questions

What is the IUPAC name of O-(2,3,4,5,6-pentafluorophenyl)hydroxylamine?
The IUPAC name of O-(2,3,4,5,6-pentafluorophenyl)hydroxylamine (CID 22968872) is O-(2,3,4,5,6-pentafluorophenyl)hydroxylamine.
What is the SMILES notation for O-(2,3,4,5,6-pentafluorophenyl)hydroxylamine?
The canonical SMILES for O-(2,3,4,5,6-pentafluorophenyl)hydroxylamine is NOc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of O-(2,3,4,5,6-pentafluorophenyl)hydroxylamine?
The InChIKey is AUPSECUITDVBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F5NO/c7-1-2(8)4(10)6(13-12)5(11)3(1)9/h12H2.
What are the key properties of O-(2,3,4,5,6-pentafluorophenyl)hydroxylamine?
O-(2,3,4,5,6-pentafluorophenyl)hydroxylamine has a molecular weight of 199.08 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-(2,3,4,5,6-pentafluorophenyl)hydroxylamine is sourced from PubChem (CID 22968872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).