3-ethylsulfonyl-1,1,1-trifluoropropane

C5H9F3O2S — CID 59155294

IUPAC3-ethylsulfonyl-1,1,1-trifluoropropane
SMILESCCS(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C5H9F3O2S/c1-2-11(9,10)4-3-5(6,7)8/h2-4H2,1H3
InChIKeySRCSATHSGSZODV-UHFFFAOYSA-N
MW190.19 g/mol
LogP1.37
Rot. Bonds3

About 3-ethylsulfonyl-1,1,1-trifluoropropane

3-ethylsulfonyl-1,1,1-trifluoropropane (PubChem CID 59155294) has the molecular formula C5H9F3O2S and a molecular weight of 190.19 g/mol. Its IUPAC name is 3-ethylsulfonyl-1,1,1-trifluoropropane.

Molecular Properties

Compound Name3-ethylsulfonyl-1,1,1-trifluoropropane
PubChem CID59155294
Molecular FormulaC5H9F3O2S
Molecular Weight190.19 g/mol
Exact Mass190.03
IUPAC Name3-ethylsulfonyl-1,1,1-trifluoropropane
SMILESCCS(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C5H9F3O2S/c1-2-11(9,10)4-3-5(6,7)8/h2-4H2,1H3
InChIKeySRCSATHSGSZODV-UHFFFAOYSA-N
XLogP1.37
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Propyl sulfone
CID 11709
Butyl ethyl sulfone
CID 520509
1,1,1,2,2,3,3,4,4,5,5-Undecafluoro-5-propylsulfonylpentane
CID 139597956
2-(1,1,1,3,3,3-Hexafluoropropan-2-ylsulfonyl)-2-methylpropane
CID 13623874
1,1,2,2-Tetrafluoro-3-(2,2,3,3-tetrafluoropropylsulfonyl)propane
CID 132839263
1-Butyl trifluormethyl sulfone
CID 3744093
Trifluoromethyl propyl sulfone
CID 54326780
1,1,1-Trifluoro-3-(methanesulfonyl)propane
CID 71356948
Diethyl(methyl)sulfanium;trifluoromethanesulfonate
CID 87357053
Tetrafluoro-propyl sulfone
CID 87624456
[Diethyl(methyl)-lambda4-sulfanyl] trifluoromethanesulfonate
CID 89251534
Ethyl n-propyl sulfone
CID 520507

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonyl-1,1,1-trifluoropropane?
The IUPAC name of 3-ethylsulfonyl-1,1,1-trifluoropropane (CID 59155294) is 3-ethylsulfonyl-1,1,1-trifluoropropane.
What is the SMILES notation for 3-ethylsulfonyl-1,1,1-trifluoropropane?
The canonical SMILES for 3-ethylsulfonyl-1,1,1-trifluoropropane is CCS(=O)(=O)CCC(F)(F)F.
What is the InChIKey of 3-ethylsulfonyl-1,1,1-trifluoropropane?
The InChIKey is SRCSATHSGSZODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3O2S/c1-2-11(9,10)4-3-5(6,7)8/h2-4H2,1H3.
What are the key properties of 3-ethylsulfonyl-1,1,1-trifluoropropane?
3-ethylsulfonyl-1,1,1-trifluoropropane has a molecular weight of 190.19 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-1,1,1-trifluoropropane is sourced from PubChem (CID 59155294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).