N-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]sulfamoyl fluoride

C4H2F7NO3S — CID 20608059

IUPACN-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]sulfamoyl fluoride
SMILESO=C(NS(=O)(=O)F)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H2F7NO3S/c5-3(6,7)1(4(8,9)10)2(13)12-16(11,14)15/h1H,(H,12,13)
InChIKeyYXOBUXDGBWNPHD-UHFFFAOYSA-N
MW277.12 g/mol
LogP1.06
Rot. Bonds2

About N-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]sulfamoyl fluoride

N-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]sulfamoyl fluoride (PubChem CID 20608059) has the molecular formula C4H2F7NO3S and a molecular weight of 277.12 g/mol. Its IUPAC name is N-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]sulfamoyl fluoride.

Molecular Properties

Compound NameN-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]sulfamoyl fluoride
PubChem CID20608059
Molecular FormulaC4H2F7NO3S
Molecular Weight277.12 g/mol
Exact Mass276.96
IUPAC NameN-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]sulfamoyl fluoride
SMILESO=C(NS(=O)(=O)F)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H2F7NO3S/c5-3(6,7)1(4(8,9)10)2(13)12-16(11,14)15/h1H,(H,12,13)
InChIKeyYXOBUXDGBWNPHD-UHFFFAOYSA-N
XLogP1.06
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.12
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3,3-trifluoro-2-(trifluoromethyl)-N-(trifluoromethylsulfonyl)propanamide
CID 155170756
1,1,1,3,3,3-Hexafluoro-2-(sulfinatocarbamoyl)propane
CID 174994276
1,1,1,3,3,3-Hexafluoro-2-(sulfinocarbamoyl)propane
CID 174994277

Frequently Asked Questions

What is the IUPAC name of N-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]sulfamoyl fluoride?
The IUPAC name of N-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]sulfamoyl fluoride (CID 20608059) is N-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]sulfamoyl fluoride.
What is the SMILES notation for N-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]sulfamoyl fluoride?
The canonical SMILES for N-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]sulfamoyl fluoride is O=C(NS(=O)(=O)F)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]sulfamoyl fluoride?
The InChIKey is YXOBUXDGBWNPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F7NO3S/c5-3(6,7)1(4(8,9)10)2(13)12-16(11,14)15/h1H,(H,12,13).
What are the key properties of N-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]sulfamoyl fluoride?
N-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]sulfamoyl fluoride has a molecular weight of 277.12 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]sulfamoyl fluoride is sourced from PubChem (CID 20608059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).