N-(3-fluorobutan-2-yl)sulfamoyl fluoride

C4H9F2NO2S — CID 130225175

IUPACN-(3-fluorobutan-2-yl)sulfamoyl fluoride
SMILESCC(F)C(C)NS(=O)(=O)F
InChIInChI=1S/C4H9F2NO2S/c1-3(5)4(2)7-10(6,8)9/h3-4,7H,1-2H3
InChIKeyHOIVGKBSUUZQFC-UHFFFAOYSA-N
MW173.18 g/mol
LogP0.54
Rot. Bonds3

About N-(3-fluorobutan-2-yl)sulfamoyl fluoride

N-(3-fluorobutan-2-yl)sulfamoyl fluoride (PubChem CID 130225175) has the molecular formula C4H9F2NO2S and a molecular weight of 173.18 g/mol. Its IUPAC name is N-(3-fluorobutan-2-yl)sulfamoyl fluoride.

Molecular Properties

Compound NameN-(3-fluorobutan-2-yl)sulfamoyl fluoride
PubChem CID130225175
Molecular FormulaC4H9F2NO2S
Molecular Weight173.18 g/mol
Exact Mass173.03
IUPAC NameN-(3-fluorobutan-2-yl)sulfamoyl fluoride
SMILESCC(F)C(C)NS(=O)(=O)F
InChIInChI=1S/C4H9F2NO2S/c1-3(5)4(2)7-10(6,8)9/h3-4,7H,1-2H3
InChIKeyHOIVGKBSUUZQFC-UHFFFAOYSA-N
XLogP0.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.18
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorobutan-2-yl)sulfamoyl fluoride?
The IUPAC name of N-(3-fluorobutan-2-yl)sulfamoyl fluoride (CID 130225175) is N-(3-fluorobutan-2-yl)sulfamoyl fluoride.
What is the SMILES notation for N-(3-fluorobutan-2-yl)sulfamoyl fluoride?
The canonical SMILES for N-(3-fluorobutan-2-yl)sulfamoyl fluoride is CC(F)C(C)NS(=O)(=O)F.
What is the InChIKey of N-(3-fluorobutan-2-yl)sulfamoyl fluoride?
The InChIKey is HOIVGKBSUUZQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2NO2S/c1-3(5)4(2)7-10(6,8)9/h3-4,7H,1-2H3.
What are the key properties of N-(3-fluorobutan-2-yl)sulfamoyl fluoride?
N-(3-fluorobutan-2-yl)sulfamoyl fluoride has a molecular weight of 173.18 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorobutan-2-yl)sulfamoyl fluoride is sourced from PubChem (CID 130225175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).