bis(prop-2-enyl)-(trifluoromethylsulfanyl)azanium

C7H11F3NS+ — CID 173019455

IUPACbis(prop-2-enyl)-(trifluoromethylsulfanyl)azanium
SMILESC=CC[NH+](CC=C)SC(F)(F)F
InChIInChI=1S/C7H10F3NS/c1-3-5-11(6-4-2)12-7(8,9)10/h3-4H,1-2,5-6H2/p+1
InChIKeyXYTSPDZEYPXCCL-UHFFFAOYSA-O
MW198.23 g/mol
LogP1.41
Rot. Bonds5

About bis(prop-2-enyl)-(trifluoromethylsulfanyl)azanium

bis(prop-2-enyl)-(trifluoromethylsulfanyl)azanium (PubChem CID 173019455) has the molecular formula C7H11F3NS+ and a molecular weight of 198.23 g/mol. Its IUPAC name is bis(prop-2-enyl)-(trifluoromethylsulfanyl)azanium.

Molecular Properties

Compound Namebis(prop-2-enyl)-(trifluoromethylsulfanyl)azanium
PubChem CID173019455
Molecular FormulaC7H11F3NS+
Molecular Weight198.23 g/mol
Exact Mass198.06
IUPAC Namebis(prop-2-enyl)-(trifluoromethylsulfanyl)azanium
SMILESC=CC[NH+](CC=C)SC(F)(F)F
InChIInChI=1S/C7H10F3NS/c1-3-5-11(6-4-2)12-7(8,9)10/h3-4H,1-2,5-6H2/p+1
InChIKeyXYTSPDZEYPXCCL-UHFFFAOYSA-O
XLogP1.41
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enyl)-(trifluoromethylsulfanyl)azanium?
The IUPAC name of bis(prop-2-enyl)-(trifluoromethylsulfanyl)azanium (CID 173019455) is bis(prop-2-enyl)-(trifluoromethylsulfanyl)azanium.
What is the SMILES notation for bis(prop-2-enyl)-(trifluoromethylsulfanyl)azanium?
The canonical SMILES for bis(prop-2-enyl)-(trifluoromethylsulfanyl)azanium is C=CC[NH+](CC=C)SC(F)(F)F.
What is the InChIKey of bis(prop-2-enyl)-(trifluoromethylsulfanyl)azanium?
The InChIKey is XYTSPDZEYPXCCL-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H10F3NS/c1-3-5-11(6-4-2)12-7(8,9)10/h3-4H,1-2,5-6H2/p+1.
What are the key properties of bis(prop-2-enyl)-(trifluoromethylsulfanyl)azanium?
bis(prop-2-enyl)-(trifluoromethylsulfanyl)azanium has a molecular weight of 198.23 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enyl)-(trifluoromethylsulfanyl)azanium is sourced from PubChem (CID 173019455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).