2,2,2-trifluoroethyl (R)-2-methylpropane-2-sulfinate

C6H11F3O2S — CID 42598316

IUPAC2,2,2-trifluoroethyl (R)-2-methylpropane-2-sulfinate
SMILESCC(C)(C)[S@](=O)OCC(F)(F)F
InChIInChI=1S/C6H11F3O2S/c1-5(2,3)12(10)11-4-6(7,8)9/h4H2,1-3H3/t12-/m1/s1
InChIKeyYSDNDOXUYJUGDW-GFCCVEGCSA-N
MW204.21 g/mol
LogP2.03
Rot. Bonds2

About 2,2,2-trifluoroethyl (R)-2-methylpropane-2-sulfinate

2,2,2-trifluoroethyl (R)-2-methylpropane-2-sulfinate (PubChem CID 42598316) has the molecular formula C6H11F3O2S and a molecular weight of 204.21 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl (R)-2-methylpropane-2-sulfinate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl (R)-2-methylpropane-2-sulfinate
PubChem CID42598316
Molecular FormulaC6H11F3O2S
Molecular Weight204.21 g/mol
Exact Mass204.04
IUPAC Name2,2,2-trifluoroethyl (R)-2-methylpropane-2-sulfinate
SMILESCC(C)(C)[S@](=O)OCC(F)(F)F
InChIInChI=1S/C6H11F3O2S/c1-5(2,3)12(10)11-4-6(7,8)9/h4H2,1-3H3/t12-/m1/s1
InChIKeyYSDNDOXUYJUGDW-GFCCVEGCSA-N
XLogP2.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.21
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Fluoro-2-methylpropyl trifluoromethanesulfonate
CID 12165534
Methanesulfonic acid, trifluoro-, 2-methylpropyl ester
CID 639197
Butyl trifluoromethanesulfinate
CID 12024156
Ethyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 15666285
1,1,1,3,3,3-hexafluoropropan-2-yl (R)-2-methylpropane-2-sulfinate
CID 42598314
2-fluoroethyl (R)-2-methylpropane-2-sulfinate
CID 42598315
Ethyl 1,1-difluoroethanesulfonate
CID 134881824
Propan-2-yl 1,1-difluoroethanesulfonate
CID 134896563
Ethyl 2-methyl-2-propanesulfinate
CID 13539053
ethyl (R)-2-methylpropane-2-sulfinate
CID 13539054
1,1,1,2,3,3,3-Heptafluoro-propane-2-sulfinic acid ethyl ester
CID 23233248
Trifluoromethyl 2-methylpropane-2-sulfonate
CID 14681965

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl (R)-2-methylpropane-2-sulfinate?
The IUPAC name of 2,2,2-trifluoroethyl (R)-2-methylpropane-2-sulfinate (CID 42598316) is 2,2,2-trifluoroethyl (R)-2-methylpropane-2-sulfinate.
What is the SMILES notation for 2,2,2-trifluoroethyl (R)-2-methylpropane-2-sulfinate?
The canonical SMILES for 2,2,2-trifluoroethyl (R)-2-methylpropane-2-sulfinate is CC(C)(C)[S@](=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl (R)-2-methylpropane-2-sulfinate?
The InChIKey is YSDNDOXUYJUGDW-GFCCVEGCSA-N. The full InChI is InChI=1S/C6H11F3O2S/c1-5(2,3)12(10)11-4-6(7,8)9/h4H2,1-3H3/t12-/m1/s1.
What are the key properties of 2,2,2-trifluoroethyl (R)-2-methylpropane-2-sulfinate?
2,2,2-trifluoroethyl (R)-2-methylpropane-2-sulfinate has a molecular weight of 204.21 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl (R)-2-methylpropane-2-sulfinate is sourced from PubChem (CID 42598316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).