oxo(3,3,3-trifluoropropyl)sulfanium

C3H4F3OS+ — CID 162540670

IUPACoxo(3,3,3-trifluoropropyl)sulfanium
SMILESO=[S+]CCC(F)(F)F
InChIInChI=1S/C3H4F3OS/c4-3(5,6)1-2-8-7/h1-2H2/q+1
InChIKeyHJSFPGKHFWCNCY-UHFFFAOYSA-N
MW145.12 g/mol
LogP1.37
Rot. Bonds2

About oxo(3,3,3-trifluoropropyl)sulfanium

oxo(3,3,3-trifluoropropyl)sulfanium (PubChem CID 162540670) has the molecular formula C3H4F3OS+ and a molecular weight of 145.12 g/mol. Its IUPAC name is oxo(3,3,3-trifluoropropyl)sulfanium.

Molecular Properties

Compound Nameoxo(3,3,3-trifluoropropyl)sulfanium
PubChem CID162540670
Molecular FormulaC3H4F3OS+
Molecular Weight145.12 g/mol
Exact Mass144.99
IUPAC Nameoxo(3,3,3-trifluoropropyl)sulfanium
SMILESO=[S+]CCC(F)(F)F
InChIInChI=1S/C3H4F3OS/c4-3(5,6)1-2-8-7/h1-2H2/q+1
InChIKeyHJSFPGKHFWCNCY-UHFFFAOYSA-N
XLogP1.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.12
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5,5,5-trifluoropentan-1-imine
CID 141176451
3-dichlorophosphoryloxy-1,1,1-trifluoropropane
CID 58544432
1-chloro-1,1,5,5,5-pentafluoropentan-2-one
CID 112574854
3,3,3-trifluoropropyl carbamate
CID 3768992
1-chloro-5,5,5-trifluoropentan-2-one
CID 79002115
2,2,3,3-tetrafluoro-N-(3,3,3-trifluoropropyl)propanamide
CID 103734095
3,3,3-tri(18F)fluoropropan-1-amine
CID 10154023
difluoromethane;1,1,1,3-tetrafluoropropane
CID 91452847
8,8,8-trifluorooctanethioic S-acid
CID 123473867
12,12,12-trifluorododecanoyl chloride
CID 19105159
6,6,6-trifluoro-2-hydroxyhexan-3-one
CID 103451387
(2S)-2-amino-5,5,5-trifluoropentanoate
CID 152782221

Frequently Asked Questions

What is the IUPAC name of oxo(3,3,3-trifluoropropyl)sulfanium?
The IUPAC name of oxo(3,3,3-trifluoropropyl)sulfanium (CID 162540670) is oxo(3,3,3-trifluoropropyl)sulfanium.
What is the SMILES notation for oxo(3,3,3-trifluoropropyl)sulfanium?
The canonical SMILES for oxo(3,3,3-trifluoropropyl)sulfanium is O=[S+]CCC(F)(F)F.
What is the InChIKey of oxo(3,3,3-trifluoropropyl)sulfanium?
The InChIKey is HJSFPGKHFWCNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F3OS/c4-3(5,6)1-2-8-7/h1-2H2/q+1.
What are the key properties of oxo(3,3,3-trifluoropropyl)sulfanium?
oxo(3,3,3-trifluoropropyl)sulfanium has a molecular weight of 145.12 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxo(3,3,3-trifluoropropyl)sulfanium is sourced from PubChem (CID 162540670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).