2-fluoroethyl (R)-2-methylpropane-2-sulfinate

C6H13FO2S — CID 42598315

IUPAC2-fluoroethyl (R)-2-methylpropane-2-sulfinate
SMILESCC(C)(C)[S@](=O)OCCF
InChIInChI=1S/C6H13FO2S/c1-6(2,3)10(8)9-5-4-7/h4-5H2,1-3H3/t10-/m1/s1
InChIKeyBPMWGUNUTLURHH-SNVBAGLBSA-N
MW168.23 g/mol
LogP1.43
Rot. Bonds3

About 2-fluoroethyl (R)-2-methylpropane-2-sulfinate

2-fluoroethyl (R)-2-methylpropane-2-sulfinate (PubChem CID 42598315) has the molecular formula C6H13FO2S and a molecular weight of 168.23 g/mol. Its IUPAC name is 2-fluoroethyl (R)-2-methylpropane-2-sulfinate.

Molecular Properties

Compound Name2-fluoroethyl (R)-2-methylpropane-2-sulfinate
PubChem CID42598315
Molecular FormulaC6H13FO2S
Molecular Weight168.23 g/mol
Exact Mass168.06
IUPAC Name2-fluoroethyl (R)-2-methylpropane-2-sulfinate
SMILESCC(C)(C)[S@](=O)OCCF
InChIInChI=1S/C6H13FO2S/c1-6(2,3)10(8)9-5-4-7/h4-5H2,1-3H3/t10-/m1/s1
InChIKeyBPMWGUNUTLURHH-SNVBAGLBSA-N
XLogP1.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.23
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Fluoro-2-methylpropyl methanesulfonate
CID 141377136
2,2,2-trifluoroethyl (R)-2-methylpropane-2-sulfinate
CID 42598316
Ethyl 2-methyl-2-propanesulfinate
CID 13539053
ethyl (R)-2-methylpropane-2-sulfinate
CID 13539054
2-Fluoropropyl butane-1-sulfonate
CID 118531096
(2-Fluoro-2-methylpropyl) 1,1-difluoroethanesulfonate
CID 139448772
3-Fluoropropyl ethanesulfonate
CID 139845353
Ethyl 4-fluorobutane-1-sulfonate
CID 141350496
Propyl 2-methylpropane-2-sulfinate
CID 13539056
propyl (R)-2-methylpropane-2-sulfinate
CID 13539057
Ethyl 2-methylbutane-2-sulfinate
CID 134995379
2-Fluoroethyl 2-methylpropane-2-sulfinate
CID 74826667

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl (R)-2-methylpropane-2-sulfinate?
The IUPAC name of 2-fluoroethyl (R)-2-methylpropane-2-sulfinate (CID 42598315) is 2-fluoroethyl (R)-2-methylpropane-2-sulfinate.
What is the SMILES notation for 2-fluoroethyl (R)-2-methylpropane-2-sulfinate?
The canonical SMILES for 2-fluoroethyl (R)-2-methylpropane-2-sulfinate is CC(C)(C)[S@](=O)OCCF.
What is the InChIKey of 2-fluoroethyl (R)-2-methylpropane-2-sulfinate?
The InChIKey is BPMWGUNUTLURHH-SNVBAGLBSA-N. The full InChI is InChI=1S/C6H13FO2S/c1-6(2,3)10(8)9-5-4-7/h4-5H2,1-3H3/t10-/m1/s1.
What are the key properties of 2-fluoroethyl (R)-2-methylpropane-2-sulfinate?
2-fluoroethyl (R)-2-methylpropane-2-sulfinate has a molecular weight of 168.23 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl (R)-2-methylpropane-2-sulfinate is sourced from PubChem (CID 42598315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).