3-[1,1,2,2,3,3,3-heptafluoropropylsulfonyl(methyl)amino]propyl-trimethylazanium

C10H18F7N2O2S+ — CID 139596170

IUPAC3-[1,1,2,2,3,3,3-heptafluoropropylsulfonyl(methyl)amino]propyl-trimethylazanium
SMILESCN(CCC[N+](C)(C)C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H18F7N2O2S/c1-18(6-5-7-19(2,3)4)22(20,21)10(16,17)8(11,12)9(13,14)15/h5-7H2,1-4H3/q+1
InChIKeyMYOALHJBESBBPK-UHFFFAOYSA-N
MW363.32 g/mol
LogP2.13
Rot. Bonds7

About 3-[1,1,2,2,3,3,3-heptafluoropropylsulfonyl(methyl)amino]propyl-trimethylazanium

3-[1,1,2,2,3,3,3-heptafluoropropylsulfonyl(methyl)amino]propyl-trimethylazanium (PubChem CID 139596170) has the molecular formula C10H18F7N2O2S+ and a molecular weight of 363.32 g/mol. Its IUPAC name is 3-[1,1,2,2,3,3,3-heptafluoropropylsulfonyl(methyl)amino]propyl-trimethylazanium.

Molecular Properties

Compound Name3-[1,1,2,2,3,3,3-heptafluoropropylsulfonyl(methyl)amino]propyl-trimethylazanium
PubChem CID139596170
Molecular FormulaC10H18F7N2O2S+
Molecular Weight363.32 g/mol
Exact Mass363.10
IUPAC Name3-[1,1,2,2,3,3,3-heptafluoropropylsulfonyl(methyl)amino]propyl-trimethylazanium
SMILESCN(CCC[N+](C)(C)C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H18F7N2O2S/c1-18(6-5-7-19(2,3)4)22(20,21)10(16,17)8(11,12)9(13,14)15/h5-7H2,1-4H3/q+1
InChIKeyMYOALHJBESBBPK-UHFFFAOYSA-N
XLogP2.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.32
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1,1,2,2,3,3,3-heptafluoropropylsulfonyl(methyl)amino]propyl-trimethylazanium?
The IUPAC name of 3-[1,1,2,2,3,3,3-heptafluoropropylsulfonyl(methyl)amino]propyl-trimethylazanium (CID 139596170) is 3-[1,1,2,2,3,3,3-heptafluoropropylsulfonyl(methyl)amino]propyl-trimethylazanium.
What is the SMILES notation for 3-[1,1,2,2,3,3,3-heptafluoropropylsulfonyl(methyl)amino]propyl-trimethylazanium?
The canonical SMILES for 3-[1,1,2,2,3,3,3-heptafluoropropylsulfonyl(methyl)amino]propyl-trimethylazanium is CN(CCC[N+](C)(C)C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3-[1,1,2,2,3,3,3-heptafluoropropylsulfonyl(methyl)amino]propyl-trimethylazanium?
The InChIKey is MYOALHJBESBBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F7N2O2S/c1-18(6-5-7-19(2,3)4)22(20,21)10(16,17)8(11,12)9(13,14)15/h5-7H2,1-4H3/q+1.
What are the key properties of 3-[1,1,2,2,3,3,3-heptafluoropropylsulfonyl(methyl)amino]propyl-trimethylazanium?
3-[1,1,2,2,3,3,3-heptafluoropropylsulfonyl(methyl)amino]propyl-trimethylazanium has a molecular weight of 363.32 g/mol, XLogP of 2.13, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,1,2,2,3,3,3-heptafluoropropylsulfonyl(methyl)amino]propyl-trimethylazanium is sourced from PubChem (CID 139596170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).