dimethyl(2,3,3-trifluoroprop-2-enyl)sulfanium

C5H8F3S+ — CID 139727237

IUPACdimethyl(2,3,3-trifluoroprop-2-enyl)sulfanium
SMILESC[S+](C)CC(F)=C(F)F
InChIInChI=1S/C5H8F3S/c1-9(2)3-4(6)5(7)8/h3H2,1-2H3/q+1
InChIKeyQMDZBMZFIJXOSF-UHFFFAOYSA-N
MW157.18 g/mol
LogP1.94
Rot. Bonds2

About dimethyl(2,3,3-trifluoroprop-2-enyl)sulfanium

dimethyl(2,3,3-trifluoroprop-2-enyl)sulfanium (PubChem CID 139727237) has the molecular formula C5H8F3S+ and a molecular weight of 157.18 g/mol. Its IUPAC name is dimethyl(2,3,3-trifluoroprop-2-enyl)sulfanium.

Molecular Properties

Compound Namedimethyl(2,3,3-trifluoroprop-2-enyl)sulfanium
PubChem CID139727237
Molecular FormulaC5H8F3S+
Molecular Weight157.18 g/mol
Exact Mass157.03
IUPAC Namedimethyl(2,3,3-trifluoroprop-2-enyl)sulfanium
SMILESC[S+](C)CC(F)=C(F)F
InChIInChI=1S/C5H8F3S/c1-9(2)3-4(6)5(7)8/h3H2,1-2H3/q+1
InChIKeyQMDZBMZFIJXOSF-UHFFFAOYSA-N
XLogP1.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.18
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl(2,3,3-trifluoroprop-2-enyl)sulfanium?
The IUPAC name of dimethyl(2,3,3-trifluoroprop-2-enyl)sulfanium (CID 139727237) is dimethyl(2,3,3-trifluoroprop-2-enyl)sulfanium.
What is the SMILES notation for dimethyl(2,3,3-trifluoroprop-2-enyl)sulfanium?
The canonical SMILES for dimethyl(2,3,3-trifluoroprop-2-enyl)sulfanium is C[S+](C)CC(F)=C(F)F.
What is the InChIKey of dimethyl(2,3,3-trifluoroprop-2-enyl)sulfanium?
The InChIKey is QMDZBMZFIJXOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3S/c1-9(2)3-4(6)5(7)8/h3H2,1-2H3/q+1.
What are the key properties of dimethyl(2,3,3-trifluoroprop-2-enyl)sulfanium?
dimethyl(2,3,3-trifluoroprop-2-enyl)sulfanium has a molecular weight of 157.18 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(2,3,3-trifluoroprop-2-enyl)sulfanium is sourced from PubChem (CID 139727237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).