N-(4,4,4-trifluorobut-2-enylsulfonyl)sulfamoyl fluoride

C4H5F4NO4S2 — CID 174770877

IUPACN-(4,4,4-trifluorobut-2-enylsulfonyl)sulfamoyl fluoride
SMILESO=S(=O)(F)NS(=O)(=O)CC=CC(F)(F)F
InChIInChI=1S/C4H5F4NO4S2/c5-4(6,7)2-1-3-14(10,11)9-15(8,12)13/h1-2,9H,3H2
InChIKeySCIAOODIRKVHAF-UHFFFAOYSA-N
MW271.21 g/mol
LogP0.24
Rot. Bonds4

About N-(4,4,4-trifluorobut-2-enylsulfonyl)sulfamoyl fluoride

N-(4,4,4-trifluorobut-2-enylsulfonyl)sulfamoyl fluoride (PubChem CID 174770877) has the molecular formula C4H5F4NO4S2 and a molecular weight of 271.21 g/mol. Its IUPAC name is N-(4,4,4-trifluorobut-2-enylsulfonyl)sulfamoyl fluoride.

Molecular Properties

Compound NameN-(4,4,4-trifluorobut-2-enylsulfonyl)sulfamoyl fluoride
PubChem CID174770877
Molecular FormulaC4H5F4NO4S2
Molecular Weight271.21 g/mol
Exact Mass270.96
IUPAC NameN-(4,4,4-trifluorobut-2-enylsulfonyl)sulfamoyl fluoride
SMILESO=S(=O)(F)NS(=O)(=O)CC=CC(F)(F)F
InChIInChI=1S/C4H5F4NO4S2/c5-4(6,7)2-1-3-14(10,11)9-15(8,12)13/h1-2,9H,3H2
InChIKeySCIAOODIRKVHAF-UHFFFAOYSA-N
XLogP0.24
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.21
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4,4,4-trifluorobut-2-enylsulfonyl)sulfamoyl fluoride?
The IUPAC name of N-(4,4,4-trifluorobut-2-enylsulfonyl)sulfamoyl fluoride (CID 174770877) is N-(4,4,4-trifluorobut-2-enylsulfonyl)sulfamoyl fluoride.
What is the SMILES notation for N-(4,4,4-trifluorobut-2-enylsulfonyl)sulfamoyl fluoride?
The canonical SMILES for N-(4,4,4-trifluorobut-2-enylsulfonyl)sulfamoyl fluoride is O=S(=O)(F)NS(=O)(=O)CC=CC(F)(F)F.
What is the InChIKey of N-(4,4,4-trifluorobut-2-enylsulfonyl)sulfamoyl fluoride?
The InChIKey is SCIAOODIRKVHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F4NO4S2/c5-4(6,7)2-1-3-14(10,11)9-15(8,12)13/h1-2,9H,3H2.
What are the key properties of N-(4,4,4-trifluorobut-2-enylsulfonyl)sulfamoyl fluoride?
N-(4,4,4-trifluorobut-2-enylsulfonyl)sulfamoyl fluoride has a molecular weight of 271.21 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4,4-trifluorobut-2-enylsulfonyl)sulfamoyl fluoride is sourced from PubChem (CID 174770877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).