propan-2-yl trifluoromethanesulfinate

C4H7F3O2S — CID 71392123

IUPACpropan-2-yl trifluoromethanesulfinate
SMILESCC(C)OS(=O)C(F)(F)F
InChIInChI=1S/C4H7F3O2S/c1-3(2)9-10(8)4(5,6)7/h3H,1-2H3
InChIKeyIYAZOAACOIMDMC-UHFFFAOYSA-N
MW176.16 g/mol
LogP1.59
Rot. Bonds2

About propan-2-yl trifluoromethanesulfinate

propan-2-yl trifluoromethanesulfinate (PubChem CID 71392123) has the molecular formula C4H7F3O2S and a molecular weight of 176.16 g/mol. Its IUPAC name is propan-2-yl trifluoromethanesulfinate.

Molecular Properties

Compound Namepropan-2-yl trifluoromethanesulfinate
PubChem CID71392123
Molecular FormulaC4H7F3O2S
Molecular Weight176.16 g/mol
Exact Mass176.01
IUPAC Namepropan-2-yl trifluoromethanesulfinate
SMILESCC(C)OS(=O)C(F)(F)F
InChIInChI=1S/C4H7F3O2S/c1-3(2)9-10(8)4(5,6)7/h3H,1-2H3
InChIKeyIYAZOAACOIMDMC-UHFFFAOYSA-N
XLogP1.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.16
LogP ≤ 51.59
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
1-Methylethyl 1,1,1-trifluoromethanesulfonate
CID 10877967
Cyclopropyl trifluoromethanesulfonate
CID 13410806
Propyl triflate
CID 10965343
1,1,1,3,3,3-Hexafluoroisopropyl Trifluoromethanesulfonate
CID 2775011
3,3,3-Trifluoropropyl methanesulfonate
CID 25210501
1,3-Difluoropropan-2-yl trifluoromethanesulfonate
CID 57115456
1, 1, 1-Trifluoropropan-2-yl trifluoromethanesulfonatc
CID 57445280
2,2-Difluoropropyl 1,1,1-trifluoromethanesulfonate
CID 58747012
1-Fluoropropan-2-yl trifluoromethanesulfonate
CID 87625139
2-Fluoropropyl trifluoromethanesulfonate
CID 91079943
Butyl trifluoromethanesulfinate
CID 12024156

Frequently Asked Questions

What is the IUPAC name of propan-2-yl trifluoromethanesulfinate?
The IUPAC name of propan-2-yl trifluoromethanesulfinate (CID 71392123) is propan-2-yl trifluoromethanesulfinate.
What is the SMILES notation for propan-2-yl trifluoromethanesulfinate?
The canonical SMILES for propan-2-yl trifluoromethanesulfinate is CC(C)OS(=O)C(F)(F)F.
What is the InChIKey of propan-2-yl trifluoromethanesulfinate?
The InChIKey is IYAZOAACOIMDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3O2S/c1-3(2)9-10(8)4(5,6)7/h3H,1-2H3.
What are the key properties of propan-2-yl trifluoromethanesulfinate?
propan-2-yl trifluoromethanesulfinate has a molecular weight of 176.16 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl trifluoromethanesulfinate is sourced from PubChem (CID 71392123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).