3-fluoro-1-propan-2-ylsulfonylpyrrolidine

C7H14FNO2S — CID 131966897

IUPAC3-fluoro-1-propan-2-ylsulfonylpyrrolidine
SMILESCC(C)S(=O)(=O)N1CCC(F)C1
InChIInChI=1S/C7H14FNO2S/c1-6(2)12(10,11)9-4-3-7(8)5-9/h6-7H,3-5H2,1-2H3
InChIKeyCZBOWKWIYGHGNX-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.77
Rot. Bonds2

About 3-fluoro-1-propan-2-ylsulfonylpyrrolidine

3-fluoro-1-propan-2-ylsulfonylpyrrolidine (PubChem CID 131966897) has the molecular formula C7H14FNO2S and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-fluoro-1-propan-2-ylsulfonylpyrrolidine.

Molecular Properties

Compound Name3-fluoro-1-propan-2-ylsulfonylpyrrolidine
PubChem CID131966897
Molecular FormulaC7H14FNO2S
Molecular Weight195.26 g/mol
Exact Mass195.07
IUPAC Name3-fluoro-1-propan-2-ylsulfonylpyrrolidine
SMILESCC(C)S(=O)(=O)N1CCC(F)C1
InChIInChI=1S/C7H14FNO2S/c1-6(2)12(10,11)9-4-3-7(8)5-9/h6-7H,3-5H2,1-2H3
InChIKeyCZBOWKWIYGHGNX-UHFFFAOYSA-N
XLogP0.77
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Fluoro-1-methylsulfonylpyrrolidine
CID 124085433
1-Methanesulfonylpyrrolidine
CID 3812935
1-Propylsulfonylpyrrolidine
CID 303057
1-Butylsulfonylpyrrolidine
CID 303063
2-(Pyrrolidin-1-ylsulfonyl)acetonitrile
CID 39733770
N-methyl-N-propyl-2-pyrrolidin-1-ylethanesulfonamide
CID 99836720
3,3-Difluoro-1-methylsulfonylpyrrolidine
CID 57578700
1-(1,1-Difluoroethylsulfonyl)pyrrolidine
CID 58122743
2-(3-Fluoropyrrolidin-1-yl)ethanesulfinate
CID 68950867
1-(3-Fluoropyrrolidin-1-yl)ethanesulfinate
CID 69071514
(3R)-1-tert-butylsulfonyl-3-fluoropyrrolidine
CID 70897086
1-Tert-butylsulfonyl-3-fluoropyrrolidine
CID 77948585

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-propan-2-ylsulfonylpyrrolidine?
The IUPAC name of 3-fluoro-1-propan-2-ylsulfonylpyrrolidine (CID 131966897) is 3-fluoro-1-propan-2-ylsulfonylpyrrolidine.
What is the SMILES notation for 3-fluoro-1-propan-2-ylsulfonylpyrrolidine?
The canonical SMILES for 3-fluoro-1-propan-2-ylsulfonylpyrrolidine is CC(C)S(=O)(=O)N1CCC(F)C1.
What is the InChIKey of 3-fluoro-1-propan-2-ylsulfonylpyrrolidine?
The InChIKey is CZBOWKWIYGHGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2S/c1-6(2)12(10,11)9-4-3-7(8)5-9/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-fluoro-1-propan-2-ylsulfonylpyrrolidine?
3-fluoro-1-propan-2-ylsulfonylpyrrolidine has a molecular weight of 195.26 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-propan-2-ylsulfonylpyrrolidine is sourced from PubChem (CID 131966897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).