1,1-difluoropropyl(oxo)sulfanium

C3H5F2OS+ — CID 162541528

IUPAC1,1-difluoropropyl(oxo)sulfanium
SMILESCCC(F)(F)[S+]=O
InChIInChI=1S/C3H5F2OS/c1-2-3(4,5)7-6/h2H2,1H3/q+1
InChIKeyWOMZLBRCZWCARS-UHFFFAOYSA-N
MW127.13 g/mol
LogP1.42
Rot. Bonds2

About 1,1-difluoropropyl(oxo)sulfanium

1,1-difluoropropyl(oxo)sulfanium (PubChem CID 162541528) has the molecular formula C3H5F2OS+ and a molecular weight of 127.13 g/mol. Its IUPAC name is 1,1-difluoropropyl(oxo)sulfanium.

Molecular Properties

Compound Name1,1-difluoropropyl(oxo)sulfanium
PubChem CID162541528
Molecular FormulaC3H5F2OS+
Molecular Weight127.13 g/mol
Exact Mass127.00
IUPAC Name1,1-difluoropropyl(oxo)sulfanium
SMILESCCC(F)(F)[S+]=O
InChIInChI=1S/C3H5F2OS/c1-2-3(4,5)7-6/h2H2,1H3/q+1
InChIKeyWOMZLBRCZWCARS-UHFFFAOYSA-N
XLogP1.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.13
LogP ≤ 51.42
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

3-fluoro-3-(trifluoromethyl)pentane
CID 59742437
[bis(trifluoromethyl)amino]-oxosulfanium;butane
CID 172680213
trifluoro(methylsulfonyl)methane
CID 11215049
ethane;2-fluoro-2-methylbutane
CID 143329956
4-ethyl-4-fluoroheptane;propane
CID 171657626
sulfuryl dibromide;1,1,1-trifluoropropane
CID 175054852
1-(1,1-difluoropropylsulfonyl)-1,1-difluoropropane
CID 87625513
1,1,1-trifluoro-3-hydroxy-3-methylpentan-2-one
CID 123438601
methanamine;1,1,1-trifluoropropane;hydrochloride
CID 175403135
1-chloro-1,1-difluoropropane;trichloro(fluoro)methane
CID 135365106
3,5-diethyl-3,4-dimethyl-4-(trifluoromethyl)heptane
CID 166589252
2,2-difluorobutyl dihydrogen phosphate
CID 151010291

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoropropyl(oxo)sulfanium?
The IUPAC name of 1,1-difluoropropyl(oxo)sulfanium (CID 162541528) is 1,1-difluoropropyl(oxo)sulfanium.
What is the SMILES notation for 1,1-difluoropropyl(oxo)sulfanium?
The canonical SMILES for 1,1-difluoropropyl(oxo)sulfanium is CCC(F)(F)[S+]=O.
What is the InChIKey of 1,1-difluoropropyl(oxo)sulfanium?
The InChIKey is WOMZLBRCZWCARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F2OS/c1-2-3(4,5)7-6/h2H2,1H3/q+1.
What are the key properties of 1,1-difluoropropyl(oxo)sulfanium?
1,1-difluoropropyl(oxo)sulfanium has a molecular weight of 127.13 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoropropyl(oxo)sulfanium is sourced from PubChem (CID 162541528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).