1,1,1,3,3,3-hexafluoropropan-2-yl (R)-2-methylpropane-2-sulfinate

C7H10F6O2S — CID 42598314

IUPAC1,1,1,3,3,3-hexafluoropropan-2-yl (R)-2-methylpropane-2-sulfinate
SMILESCC(C)(C)[S@](=O)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H10F6O2S/c1-5(2,3)16(14)15-4(6(8,9)10)7(11,12)13/h4H,1-3H3/t16-/m1/s1
InChIKeyPNPZBQIADJEDSO-MRXNPFEDSA-N
MW272.21 g/mol
LogP2.96
Rot. Bonds2

About 1,1,1,3,3,3-hexafluoropropan-2-yl (R)-2-methylpropane-2-sulfinate

1,1,1,3,3,3-hexafluoropropan-2-yl (R)-2-methylpropane-2-sulfinate (PubChem CID 42598314) has the molecular formula C7H10F6O2S and a molecular weight of 272.21 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropan-2-yl (R)-2-methylpropane-2-sulfinate.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoropropan-2-yl (R)-2-methylpropane-2-sulfinate
PubChem CID42598314
Molecular FormulaC7H10F6O2S
Molecular Weight272.21 g/mol
Exact Mass272.03
IUPAC Name1,1,1,3,3,3-hexafluoropropan-2-yl (R)-2-methylpropane-2-sulfinate
SMILESCC(C)(C)[S@](=O)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H10F6O2S/c1-5(2,3)16(14)15-4(6(8,9)10)7(11,12)13/h4H,1-3H3/t16-/m1/s1
InChIKeyPNPZBQIADJEDSO-MRXNPFEDSA-N
XLogP2.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-Trifluoropropan-2-yl nonafluorobutane-1-sulfonate
CID 14292219
2,2,2-trifluoroethyl (R)-2-methylpropane-2-sulfinate
CID 42598316
Propan-2-yl 1,1-difluoroethanesulfonate
CID 134896563
1,1,1,2,3,3,3-Heptafluoro-propane-2-sulfinic acid ethyl ester
CID 23233248
1,1,1,3,3,3-Hexafluoropropan-2-yl butane-2-sulfonate
CID 20811119
2-Tert-butylsulfonyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate
CID 57676838
2-Tert-butylsulfonyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonic acid
CID 57676839
3-Butan-2-yloxy-1,1,2,2,3,3-hexafluoropropane-1-sulfonyl fluoride
CID 60014386
2-Butan-2-yloxy-1,1,2,2-tetrafluoroethanesulfonyl fluoride
CID 60014388
2-(1,1,2,2-Tetrafluoroethylsulfonyloxy)propyl 1,1,2,2-tetrafluoroethanesulfonate
CID 87127868
2-(1,1,2-Trifluoroethylsulfonyloxy)propyl 1,1,2-trifluoroethanesulfonate
CID 87128140
2-(1,1-Difluoroethylsulfonyloxy)propyl 1,1-difluoroethanesulfonate
CID 87128513

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl (R)-2-methylpropane-2-sulfinate?
The IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl (R)-2-methylpropane-2-sulfinate (CID 42598314) is 1,1,1,3,3,3-hexafluoropropan-2-yl (R)-2-methylpropane-2-sulfinate.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoropropan-2-yl (R)-2-methylpropane-2-sulfinate?
The canonical SMILES for 1,1,1,3,3,3-hexafluoropropan-2-yl (R)-2-methylpropane-2-sulfinate is CC(C)(C)[S@](=O)OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoropropan-2-yl (R)-2-methylpropane-2-sulfinate?
The InChIKey is PNPZBQIADJEDSO-MRXNPFEDSA-N. The full InChI is InChI=1S/C7H10F6O2S/c1-5(2,3)16(14)15-4(6(8,9)10)7(11,12)13/h4H,1-3H3/t16-/m1/s1.
What are the key properties of 1,1,1,3,3,3-hexafluoropropan-2-yl (R)-2-methylpropane-2-sulfinate?
1,1,1,3,3,3-hexafluoropropan-2-yl (R)-2-methylpropane-2-sulfinate has a molecular weight of 272.21 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoropropan-2-yl (R)-2-methylpropane-2-sulfinate is sourced from PubChem (CID 42598314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).