methyl-dipropyl-[1-(trifluoromethylsulfonyl)ethyl]azanium

C10H21F3NO2S+ — CID 172682362

IUPACmethyl-dipropyl-[1-(trifluoromethylsulfonyl)ethyl]azanium
SMILESCCC[N+](C)(CCC)C(C)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H21F3NO2S/c1-5-7-14(4,8-6-2)9(3)17(15,16)10(11,12)13/h9H,5-8H2,1-4H3/q+1
InChIKeyAOPWDKGHKQMQEC-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.53
Rot. Bonds6

About methyl-dipropyl-[1-(trifluoromethylsulfonyl)ethyl]azanium

methyl-dipropyl-[1-(trifluoromethylsulfonyl)ethyl]azanium (PubChem CID 172682362) has the molecular formula C10H21F3NO2S+ and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl-dipropyl-[1-(trifluoromethylsulfonyl)ethyl]azanium.

Molecular Properties

Compound Namemethyl-dipropyl-[1-(trifluoromethylsulfonyl)ethyl]azanium
PubChem CID172682362
Molecular FormulaC10H21F3NO2S+
Molecular Weight276.34 g/mol
Exact Mass276.12
IUPAC Namemethyl-dipropyl-[1-(trifluoromethylsulfonyl)ethyl]azanium
SMILESCCC[N+](C)(CCC)C(C)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H21F3NO2S/c1-5-7-14(4,8-6-2)9(3)17(15,16)10(11,12)13/h9H,5-8H2,1-4H3/q+1
InChIKeyAOPWDKGHKQMQEC-UHFFFAOYSA-N
XLogP2.53
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tetraethylazanium;1,1,1-trifluoropentane-2-sulfonate
CID 22998699
2,2,2-trifluoro-N,N-dimethyl-1-methylsulfonylethanamine
CID 88991106
1,2,2,3,4,4-Hexafluorobutane-1-sulfonate;tetraethylazanium
CID 134206716
1,2,2,3,3,4,4,4-Octafluorobutane-1-sulfonate;tetraethylazanium
CID 134206767
Tetraethylazanium;5,5,5-trifluoropentane-1-sulfonate
CID 134206869
5,5-Difluoropentane-1-sulfonate;tetraethylazanium
CID 134207209
1,2,2,3,3,4,4-Heptafluorobutane-1-sulfonate;tetraethylazanium
CID 134207523
Tetraethylazanium;4,4,4-trifluorobutane-1-sulfonate
CID 134207617
4,4-Difluorobutane-1-sulfonate;tetraethylazanium
CID 134207634
Tetraethylazanium;1,4,4,4-tetrafluorobutane-1-sulfonate
CID 141492052
2,2,3,3,4,4,4-Heptafluorobutane-1-sulfonate;tetraethylazanium
CID 141492071
Tetraethylazanium;2,2,3,3-tetrafluorobutane-1-sulfonate
CID 145140201

Frequently Asked Questions

What is the IUPAC name of methyl-dipropyl-[1-(trifluoromethylsulfonyl)ethyl]azanium?
The IUPAC name of methyl-dipropyl-[1-(trifluoromethylsulfonyl)ethyl]azanium (CID 172682362) is methyl-dipropyl-[1-(trifluoromethylsulfonyl)ethyl]azanium.
What is the SMILES notation for methyl-dipropyl-[1-(trifluoromethylsulfonyl)ethyl]azanium?
The canonical SMILES for methyl-dipropyl-[1-(trifluoromethylsulfonyl)ethyl]azanium is CCC[N+](C)(CCC)C(C)S(=O)(=O)C(F)(F)F.
What is the InChIKey of methyl-dipropyl-[1-(trifluoromethylsulfonyl)ethyl]azanium?
The InChIKey is AOPWDKGHKQMQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3NO2S/c1-5-7-14(4,8-6-2)9(3)17(15,16)10(11,12)13/h9H,5-8H2,1-4H3/q+1.
What are the key properties of methyl-dipropyl-[1-(trifluoromethylsulfonyl)ethyl]azanium?
methyl-dipropyl-[1-(trifluoromethylsulfonyl)ethyl]azanium has a molecular weight of 276.34 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-dipropyl-[1-(trifluoromethylsulfonyl)ethyl]azanium is sourced from PubChem (CID 172682362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).