N,N-difluorosulfamoyl fluoride;2-prop-2-enyl-1H-imidazole

C6H8F3N3O2S — CID 174908170

IUPACN,N-difluorosulfamoyl fluoride;2-prop-2-enyl-1H-imidazole
SMILESC=CCc1ncc[nH]1.O=S(=O)(F)N(F)F
InChIInChI=1S/C6H8N2.F3NO2S/c1-2-3-6-7-4-5-8-6;1-4(2)7(3,5)6/h2,4-5H,1,3H2,(H,7,8);
InChIKeyHNGCVAJXTORLNM-UHFFFAOYSA-N
MW243.21 g/mol
LogP1.41
Rot. Bonds3

About N,N-difluorosulfamoyl fluoride;2-prop-2-enyl-1H-imidazole

N,N-difluorosulfamoyl fluoride;2-prop-2-enyl-1H-imidazole (PubChem CID 174908170) has the molecular formula C6H8F3N3O2S and a molecular weight of 243.21 g/mol. Its IUPAC name is N,N-difluorosulfamoyl fluoride;2-prop-2-enyl-1H-imidazole.

Molecular Properties

Compound NameN,N-difluorosulfamoyl fluoride;2-prop-2-enyl-1H-imidazole
PubChem CID174908170
Molecular FormulaC6H8F3N3O2S
Molecular Weight243.21 g/mol
Exact Mass243.03
IUPAC NameN,N-difluorosulfamoyl fluoride;2-prop-2-enyl-1H-imidazole
SMILESC=CCc1ncc[nH]1.O=S(=O)(F)N(F)F
InChIInChI=1S/C6H8N2.F3NO2S/c1-2-3-6-7-4-5-8-6;1-4(2)7(3,5)6/h2,4-5H,1,3H2,(H,7,8);
InChIKeyHNGCVAJXTORLNM-UHFFFAOYSA-N
XLogP1.41
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-difluorosulfamoyl fluoride;2-prop-2-enyl-1H-imidazole?
The IUPAC name of N,N-difluorosulfamoyl fluoride;2-prop-2-enyl-1H-imidazole (CID 174908170) is N,N-difluorosulfamoyl fluoride;2-prop-2-enyl-1H-imidazole.
What is the SMILES notation for N,N-difluorosulfamoyl fluoride;2-prop-2-enyl-1H-imidazole?
The canonical SMILES for N,N-difluorosulfamoyl fluoride;2-prop-2-enyl-1H-imidazole is C=CCc1ncc[nH]1.O=S(=O)(F)N(F)F.
What is the InChIKey of N,N-difluorosulfamoyl fluoride;2-prop-2-enyl-1H-imidazole?
The InChIKey is HNGCVAJXTORLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2.F3NO2S/c1-2-3-6-7-4-5-8-6;1-4(2)7(3,5)6/h2,4-5H,1,3H2,(H,7,8);.
What are the key properties of N,N-difluorosulfamoyl fluoride;2-prop-2-enyl-1H-imidazole?
N,N-difluorosulfamoyl fluoride;2-prop-2-enyl-1H-imidazole has a molecular weight of 243.21 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-difluorosulfamoyl fluoride;2-prop-2-enyl-1H-imidazole is sourced from PubChem (CID 174908170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).