2-(fluoromethyl)-1-propan-2-ylsulfonylpyrrolidine

C8H16FNO2S — CID 130978811

IUPAC2-(fluoromethyl)-1-propan-2-ylsulfonylpyrrolidine
SMILESCC(C)S(=O)(=O)N1CCCC1CF
InChIInChI=1S/C8H16FNO2S/c1-7(2)13(11,12)10-5-3-4-8(10)6-9/h7-8H,3-6H2,1-2H3
InChIKeyKXNWKOICBCGSTJ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.16
Rot. Bonds3

About 2-(fluoromethyl)-1-propan-2-ylsulfonylpyrrolidine

2-(fluoromethyl)-1-propan-2-ylsulfonylpyrrolidine (PubChem CID 130978811) has the molecular formula C8H16FNO2S and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(fluoromethyl)-1-propan-2-ylsulfonylpyrrolidine.

Molecular Properties

Compound Name2-(fluoromethyl)-1-propan-2-ylsulfonylpyrrolidine
PubChem CID130978811
Molecular FormulaC8H16FNO2S
Molecular Weight209.29 g/mol
Exact Mass209.09
IUPAC Name2-(fluoromethyl)-1-propan-2-ylsulfonylpyrrolidine
SMILESCC(C)S(=O)(=O)N1CCCC1CF
InChIInChI=1S/C8H16FNO2S/c1-7(2)13(11,12)10-5-3-4-8(10)6-9/h7-8H,3-6H2,1-2H3
InChIKeyKXNWKOICBCGSTJ-UHFFFAOYSA-N
XLogP1.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Isothiazolidine, 2-(3-pentyl)-, 1,1-dioxide
CID 52615
Isothiazolidine, 2-cyclohexyl-, 1,1-dioxide
CID 52612
1-Butylsulfonylpyrrolidine
CID 303063
1-Tert-butylsulfonyl-4-fluoro-2-methylpyrrolidine
CID 68353251
N-[(4-fluoro-1-propan-2-ylpyrrolidin-2-yl)methyl]-N-methylmethanesulfonamide
CID 70939942
N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-ethylmethanesulfonamide
CID 70939962
3-Fluoro-5-methyl-2-(methylsulfonylmethyl)-1-propan-2-ylpyrrolidine
CID 71221024
N-ethyl-N-[(4-fluoro-1-propan-2-ylpyrrolidin-2-yl)methyl]methanesulfonamide
CID 89901762
N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-methylmethanesulfonamide
CID 121274615
(3R)-3-fluoro-1-propan-2-ylsulfonylpyrrolidine
CID 124082859
(3R)-3-fluoro-1-octylsulfonylpyrrolidine
CID 131966886
3-Fluoro-1-propan-2-ylsulfonylpyrrolidine
CID 131966897

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-1-propan-2-ylsulfonylpyrrolidine?
The IUPAC name of 2-(fluoromethyl)-1-propan-2-ylsulfonylpyrrolidine (CID 130978811) is 2-(fluoromethyl)-1-propan-2-ylsulfonylpyrrolidine.
What is the SMILES notation for 2-(fluoromethyl)-1-propan-2-ylsulfonylpyrrolidine?
The canonical SMILES for 2-(fluoromethyl)-1-propan-2-ylsulfonylpyrrolidine is CC(C)S(=O)(=O)N1CCCC1CF.
What is the InChIKey of 2-(fluoromethyl)-1-propan-2-ylsulfonylpyrrolidine?
The InChIKey is KXNWKOICBCGSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2S/c1-7(2)13(11,12)10-5-3-4-8(10)6-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-(fluoromethyl)-1-propan-2-ylsulfonylpyrrolidine?
2-(fluoromethyl)-1-propan-2-ylsulfonylpyrrolidine has a molecular weight of 209.29 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-1-propan-2-ylsulfonylpyrrolidine is sourced from PubChem (CID 130978811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).