1-decyl-3-methyl-2H-imidazole;N-fluorosulfamoyl fluoride

C14H29F2N3O2S — CID 175445471

IUPAC1-decyl-3-methyl-2H-imidazole;N-fluorosulfamoyl fluoride
SMILESCCCCCCCCCCN1C=CN(C)C1.O=S(=O)(F)NF
InChIInChI=1S/C14H28N2.F2HNO2S/c1-3-4-5-6-7-8-9-10-11-16-13-12-15(2)14-16;1-3-6(2,4)5/h12-13H,3-11,14H2,1-2H3;3H
InChIKeyOAGAFDXHYQZSGY-UHFFFAOYSA-N
MW341.47 g/mol
LogP3.48
Rot. Bonds10

About 1-decyl-3-methyl-2H-imidazole;N-fluorosulfamoyl fluoride

1-decyl-3-methyl-2H-imidazole;N-fluorosulfamoyl fluoride (PubChem CID 175445471) has the molecular formula C14H29F2N3O2S and a molecular weight of 341.47 g/mol. Its IUPAC name is 1-decyl-3-methyl-2H-imidazole;N-fluorosulfamoyl fluoride.

Molecular Properties

Compound Name1-decyl-3-methyl-2H-imidazole;N-fluorosulfamoyl fluoride
PubChem CID175445471
Molecular FormulaC14H29F2N3O2S
Molecular Weight341.47 g/mol
Exact Mass341.19
IUPAC Name1-decyl-3-methyl-2H-imidazole;N-fluorosulfamoyl fluoride
SMILESCCCCCCCCCCN1C=CN(C)C1.O=S(=O)(F)NF
InChIInChI=1S/C14H28N2.F2HNO2S/c1-3-4-5-6-7-8-9-10-11-16-13-12-15(2)14-16;1-3-6(2,4)5/h12-13H,3-11,14H2,1-2H3;3H
InChIKeyOAGAFDXHYQZSGY-UHFFFAOYSA-N
XLogP3.48
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.47
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-dodecyl-3-methyl-2H-imidazole;N-fluorosulfamoyl fluoride
CID 175445474
1-hexadecyl-3-methyl-2H-imidazole;methanesulfonic acid
CID 174775382
fluoromethane;1-hexyl-3-methyl-2H-imidazole
CID 174715359
1-hexyl-3-methyl-2H-imidazole
CID 18513318
1-methyl-3-nonadecyl-2H-imidazole
CID 69396698
1-methyl-3-octyl-2H-imidazole;bis(trifluoromethanesulfonic acid)
CID 175946209
1-methyl-3-octadecyl-2H-imidazole;hydrochloride
CID 173017387
1-methyl-3-tridecyl-2H-imidazole;hydrochloride
CID 175556841
1-decyl-3-methyl-2H-imidazole;hydrofluoride
CID 174870192
1-methyl-3-octyl-2H-imidazole;hydrate
CID 172807129
1,1,1,5,5,5-hexafluoropentane-2,4-dione;1-methyl-3-octyl-2H-imidazole
CID 160861168
1-hexadecyl-3-methyl-2H-imidazole tetrafluoroborate
CID 159038407

Frequently Asked Questions

What is the IUPAC name of 1-decyl-3-methyl-2H-imidazole;N-fluorosulfamoyl fluoride?
The IUPAC name of 1-decyl-3-methyl-2H-imidazole;N-fluorosulfamoyl fluoride (CID 175445471) is 1-decyl-3-methyl-2H-imidazole;N-fluorosulfamoyl fluoride.
What is the SMILES notation for 1-decyl-3-methyl-2H-imidazole;N-fluorosulfamoyl fluoride?
The canonical SMILES for 1-decyl-3-methyl-2H-imidazole;N-fluorosulfamoyl fluoride is CCCCCCCCCCN1C=CN(C)C1.O=S(=O)(F)NF.
What is the InChIKey of 1-decyl-3-methyl-2H-imidazole;N-fluorosulfamoyl fluoride?
The InChIKey is OAGAFDXHYQZSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2.F2HNO2S/c1-3-4-5-6-7-8-9-10-11-16-13-12-15(2)14-16;1-3-6(2,4)5/h12-13H,3-11,14H2,1-2H3;3H.
What are the key properties of 1-decyl-3-methyl-2H-imidazole;N-fluorosulfamoyl fluoride?
1-decyl-3-methyl-2H-imidazole;N-fluorosulfamoyl fluoride has a molecular weight of 341.47 g/mol, XLogP of 3.48, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-3-methyl-2H-imidazole;N-fluorosulfamoyl fluoride is sourced from PubChem (CID 175445471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).