sodium [(3-fluorophenyl)diazenyl]-methoxyphosphinate

C7H7FN2NaO3P — CID 117061605

IUPACsodium [(3-fluorophenyl)diazenyl]-methoxyphosphinate
SMILESCOP(=O)([O-])/N=N/c1cccc(F)c1.[Na+]
InChIInChI=1S/C7H8FN2O3P.Na/c1-13-14(11,12)10-9-7-4-2-3-6(8)5-7;/h2-5H,1H3,(H,11,12);/q;+1/p-1/b10-9+;
InChIKeyZIBZDRIXWGLPRB-RRABGKBLSA-M
MW240.11 g/mol
LogP-0.97
Rot. Bonds3

About sodium [(3-fluorophenyl)diazenyl]-methoxyphosphinate

sodium [(3-fluorophenyl)diazenyl]-methoxyphosphinate (PubChem CID 117061605) has the molecular formula C7H7FN2NaO3P and a molecular weight of 240.11 g/mol. Its IUPAC name is sodium [(3-fluorophenyl)diazenyl]-methoxyphosphinate.

Molecular Properties

Compound Namesodium [(3-fluorophenyl)diazenyl]-methoxyphosphinate
PubChem CID117061605
Molecular FormulaC7H7FN2NaO3P
Molecular Weight240.11 g/mol
Exact Mass240.01
IUPAC Namesodium [(3-fluorophenyl)diazenyl]-methoxyphosphinate
SMILESCOP(=O)([O-])/N=N/c1cccc(F)c1.[Na+]
InChIInChI=1S/C7H8FN2O3P.Na/c1-13-14(11,12)10-9-7-4-2-3-6(8)5-7;/h2-5H,1H3,(H,11,12);/q;+1/p-1/b10-9+;
InChIKeyZIBZDRIXWGLPRB-RRABGKBLSA-M
XLogP-0.97
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.11
LogP ≤ 5-0.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(4-fluoro-2,6-dimethylphenyl)-(3-fluorophenyl)diazene
CID 166445658
(Z)-3-[(3-fluorophenyl)diazenyl]-4-hydroxypent-3-en-2-one
CID 135672253
1-fluoro-3-(sulfonylamino)benzene
CID 151719875
ethyl-(3-fluorophenyl)imino-methyl-oxo-λ6-sulfane
CID 125450850
1,1-difluoro-N-(3-fluorophenyl)propan-2-imine
CID 130247360
1-bis(3-fluorophenyl)phosphoryl-3-fluorobenzene
CID 23234470
1,3-difluorobenzene;methanol
CID 144994633
acetaldehyde;1,3-difluorobenzene
CID 160854263
sodium;1-fluoro-3-methylbenzene;hydride
CID 174603883
N'-(3-fluorophenyl)-3-methylbutanimidamide
CID 121219593
sodium N-(3-methoxyphenyl)iminosulfamate
CID 23715155
N-(3-fluorophenyl)-1-(4-fluorophenyl)ethanimine
CID 139246224

Frequently Asked Questions

What is the IUPAC name of sodium [(3-fluorophenyl)diazenyl]-methoxyphosphinate?
The IUPAC name of sodium [(3-fluorophenyl)diazenyl]-methoxyphosphinate (CID 117061605) is sodium [(3-fluorophenyl)diazenyl]-methoxyphosphinate.
What is the SMILES notation for sodium [(3-fluorophenyl)diazenyl]-methoxyphosphinate?
The canonical SMILES for sodium [(3-fluorophenyl)diazenyl]-methoxyphosphinate is COP(=O)([O-])/N=N/c1cccc(F)c1.[Na+].
What is the InChIKey of sodium [(3-fluorophenyl)diazenyl]-methoxyphosphinate?
The InChIKey is ZIBZDRIXWGLPRB-RRABGKBLSA-M. The full InChI is InChI=1S/C7H8FN2O3P.Na/c1-13-14(11,12)10-9-7-4-2-3-6(8)5-7;/h2-5H,1H3,(H,11,12);/q;+1/p-1/b10-9+;.
What are the key properties of sodium [(3-fluorophenyl)diazenyl]-methoxyphosphinate?
sodium [(3-fluorophenyl)diazenyl]-methoxyphosphinate has a molecular weight of 240.11 g/mol, XLogP of -0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium [(3-fluorophenyl)diazenyl]-methoxyphosphinate is sourced from PubChem (CID 117061605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).