propan-2-yl 3-fluoropyrrolidine-1-sulfonate

C7H14FNO3S — CID 177326694

IUPACpropan-2-yl 3-fluoropyrrolidine-1-sulfonate
SMILESCC(C)OS(=O)(=O)N1CCC(F)C1
InChIInChI=1S/C7H14FNO3S/c1-6(2)12-13(10,11)9-4-3-7(8)5-9/h6-7H,3-5H2,1-2H3
InChIKeyFJPVMGRBEPIFDM-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.70
Rot. Bonds3

About propan-2-yl 3-fluoropyrrolidine-1-sulfonate

propan-2-yl 3-fluoropyrrolidine-1-sulfonate (PubChem CID 177326694) has the molecular formula C7H14FNO3S and a molecular weight of 211.26 g/mol. Its IUPAC name is propan-2-yl 3-fluoropyrrolidine-1-sulfonate.

Molecular Properties

Compound Namepropan-2-yl 3-fluoropyrrolidine-1-sulfonate
PubChem CID177326694
Molecular FormulaC7H14FNO3S
Molecular Weight211.26 g/mol
Exact Mass211.07
IUPAC Namepropan-2-yl 3-fluoropyrrolidine-1-sulfonate
SMILESCC(C)OS(=O)(=O)N1CCC(F)C1
InChIInChI=1S/C7H14FNO3S/c1-6(2)12-13(10,11)9-4-3-7(8)5-9/h6-7H,3-5H2,1-2H3
InChIKeyFJPVMGRBEPIFDM-UHFFFAOYSA-N
XLogP0.70
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Rel-(3R,4S)-3-fluoro-4-methoxypyrrolidine-1-sulfonyl chloride
CID 165149901
Ethyl 3,3-difluoropyrrolidine-1-sulfonate
CID 177326345
Rel-(3R,4R)-3-fluoro-4-methoxypyrrolidine-1-sulfonyl chloride
CID 172908008
Ethyl pyrrolidine-1-sulfonate
CID 87646410
(5R)-3-ethyl-5-methyloxathiazolidine 2,2-dioxide
CID 89168351
(5S)-3-ethyl-5-methyloxathiazolidine 2,2-dioxide
CID 89615968
Propyl pyrrolidine-1-sulfonate
CID 123285976

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-fluoropyrrolidine-1-sulfonate?
The IUPAC name of propan-2-yl 3-fluoropyrrolidine-1-sulfonate (CID 177326694) is propan-2-yl 3-fluoropyrrolidine-1-sulfonate.
What is the SMILES notation for propan-2-yl 3-fluoropyrrolidine-1-sulfonate?
The canonical SMILES for propan-2-yl 3-fluoropyrrolidine-1-sulfonate is CC(C)OS(=O)(=O)N1CCC(F)C1.
What is the InChIKey of propan-2-yl 3-fluoropyrrolidine-1-sulfonate?
The InChIKey is FJPVMGRBEPIFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO3S/c1-6(2)12-13(10,11)9-4-3-7(8)5-9/h6-7H,3-5H2,1-2H3.
What are the key properties of propan-2-yl 3-fluoropyrrolidine-1-sulfonate?
propan-2-yl 3-fluoropyrrolidine-1-sulfonate has a molecular weight of 211.26 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-fluoropyrrolidine-1-sulfonate is sourced from PubChem (CID 177326694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).