N-[fluoro(trifluoromethoxy)phosphoryl]sulfamoyl fluoride

CHF5NO4PS — CID 166804723

IUPACN-[fluoro(trifluoromethoxy)phosphoryl]sulfamoyl fluoride
SMILESO=P(F)(NS(=O)(=O)F)OC(F)(F)F
InChIInChI=1S/CHF5NO4PS/c2-1(3,4)11-12(5,8)7-13(6,9)10/h(H,7,8)
InChIKeyUXSPUEAXHLPNKN-UHFFFAOYSA-N
MW249.05 g/mol
LogP1.40
Rot. Bonds3

About N-[fluoro(trifluoromethoxy)phosphoryl]sulfamoyl fluoride

N-[fluoro(trifluoromethoxy)phosphoryl]sulfamoyl fluoride (PubChem CID 166804723) has the molecular formula CHF5NO4PS and a molecular weight of 249.05 g/mol. Its IUPAC name is N-[fluoro(trifluoromethoxy)phosphoryl]sulfamoyl fluoride.

Molecular Properties

Compound NameN-[fluoro(trifluoromethoxy)phosphoryl]sulfamoyl fluoride
PubChem CID166804723
Molecular FormulaCHF5NO4PS
Molecular Weight249.05 g/mol
Exact Mass248.93
IUPAC NameN-[fluoro(trifluoromethoxy)phosphoryl]sulfamoyl fluoride
SMILESO=P(F)(NS(=O)(=O)F)OC(F)(F)F
InChIInChI=1S/CHF5NO4PS/c2-1(3,4)11-12(5,8)7-13(6,9)10/h(H,7,8)
InChIKeyUXSPUEAXHLPNKN-UHFFFAOYSA-N
XLogP1.40
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.05
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

fluoro-N-fluorosulfonylphosphonamidic acid
CID 140798084
trifluoromethyl dihydrogen phosphate
CID 23129820
trifluoro-[trifluoromethoxy(trifluoromethyl)phosphoryl]oxymethane
CID 87127913
trifluoromethoxy(trifluoromethyl)phosphinic acid
CID 175007111
methyl bis(trifluoromethyl) phosphate
CID 87128096
2-fluoro-2-fluorosulfonyloxypropane
CID 88649659
ethenyl bis(trifluoromethyl) phosphate
CID 172804710
1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propane-1-sulfonyl fluoride
CID 165365650
[1,1,1,2,2,4,4,5,5,5-decafluoro-3-(trifluoromethyl)pentan-3-yl] dihydrogen phosphate
CID 87127911
1,1,2,2-tetrafluoro-1,2-bis(fluorosulfonyloxy)ethane
CID 12665878
[bromo(difluoro)methyl] dihydrogen phosphate
CID 141394885
(1,1,1,2,2,4,4,5,5,5-decafluoro-3-methylpentan-3-yl) dihydrogen phosphate
CID 87463098

Frequently Asked Questions

What is the IUPAC name of N-[fluoro(trifluoromethoxy)phosphoryl]sulfamoyl fluoride?
The IUPAC name of N-[fluoro(trifluoromethoxy)phosphoryl]sulfamoyl fluoride (CID 166804723) is N-[fluoro(trifluoromethoxy)phosphoryl]sulfamoyl fluoride.
What is the SMILES notation for N-[fluoro(trifluoromethoxy)phosphoryl]sulfamoyl fluoride?
The canonical SMILES for N-[fluoro(trifluoromethoxy)phosphoryl]sulfamoyl fluoride is O=P(F)(NS(=O)(=O)F)OC(F)(F)F.
What is the InChIKey of N-[fluoro(trifluoromethoxy)phosphoryl]sulfamoyl fluoride?
The InChIKey is UXSPUEAXHLPNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/CHF5NO4PS/c2-1(3,4)11-12(5,8)7-13(6,9)10/h(H,7,8).
What are the key properties of N-[fluoro(trifluoromethoxy)phosphoryl]sulfamoyl fluoride?
N-[fluoro(trifluoromethoxy)phosphoryl]sulfamoyl fluoride has a molecular weight of 249.05 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[fluoro(trifluoromethoxy)phosphoryl]sulfamoyl fluoride is sourced from PubChem (CID 166804723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).