3-fluoro-3-(3-methylsulfonylpropyl)pyrrolidine

C8H16FNO2S — CID 112564275

IUPAC3-fluoro-3-(3-methylsulfonylpropyl)pyrrolidine
SMILESCS(=O)(=O)CCCC1(F)CCNC1
InChIInChI=1S/C8H16FNO2S/c1-13(11,12)6-2-3-8(9)4-5-10-7-8/h10H,2-7H2,1H3
InChIKeyIYHZFNZNGYHPQK-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.51
Rot. Bonds4

About 3-fluoro-3-(3-methylsulfonylpropyl)pyrrolidine

3-fluoro-3-(3-methylsulfonylpropyl)pyrrolidine (PubChem CID 112564275) has the molecular formula C8H16FNO2S and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-fluoro-3-(3-methylsulfonylpropyl)pyrrolidine.

Molecular Properties

Compound Name3-fluoro-3-(3-methylsulfonylpropyl)pyrrolidine
PubChem CID112564275
Molecular FormulaC8H16FNO2S
Molecular Weight209.29 g/mol
Exact Mass209.09
IUPAC Name3-fluoro-3-(3-methylsulfonylpropyl)pyrrolidine
SMILESCS(=O)(=O)CCCC1(F)CCNC1
InChIInChI=1S/C8H16FNO2S/c1-13(11,12)6-2-3-8(9)4-5-10-7-8/h10H,2-7H2,1H3
InChIKeyIYHZFNZNGYHPQK-UHFFFAOYSA-N
XLogP0.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-4-(3-methylsulfonylpropyl)azepane
CID 103983944
3-butyl-3-fluoropyrrolidine
CID 112564219
(3S)-3-ethyl-3-fluoropyrrolidine
CID 129375311
2-methyl-2-(3-methylsulfonylpropyl)azepane
CID 79119216
1-(3-methylsulfonylpropyl)cyclohexan-1-amine
CID 63192064
3-but-3-ynyl-3-fluoropyrrolidine
CID 112564424
2-ethyl-2-(3-methylsulfonylpropyl)azepane
CID 79117199
3-(3-ethylsulfonylpropyl)pyrrolidin-3-ol
CID 65145628
3-(2-methylsulfonylethyl)piperidin-3-ol
CID 65145784
3-(2,2-dimethylpropyl)-3-fluoropyrrolidine
CID 83815669
1-(3-methylpyrrolidin-3-yl)-3-methylsulfonylpropan-1-one
CID 116570102
3-fluoro-3-propylpiperidine
CID 83815245

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(3-methylsulfonylpropyl)pyrrolidine?
The IUPAC name of 3-fluoro-3-(3-methylsulfonylpropyl)pyrrolidine (CID 112564275) is 3-fluoro-3-(3-methylsulfonylpropyl)pyrrolidine.
What is the SMILES notation for 3-fluoro-3-(3-methylsulfonylpropyl)pyrrolidine?
The canonical SMILES for 3-fluoro-3-(3-methylsulfonylpropyl)pyrrolidine is CS(=O)(=O)CCCC1(F)CCNC1.
What is the InChIKey of 3-fluoro-3-(3-methylsulfonylpropyl)pyrrolidine?
The InChIKey is IYHZFNZNGYHPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2S/c1-13(11,12)6-2-3-8(9)4-5-10-7-8/h10H,2-7H2,1H3.
What are the key properties of 3-fluoro-3-(3-methylsulfonylpropyl)pyrrolidine?
3-fluoro-3-(3-methylsulfonylpropyl)pyrrolidine has a molecular weight of 209.29 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(3-methylsulfonylpropyl)pyrrolidine is sourced from PubChem (CID 112564275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).