3,3-difluoro-4-(methylsulfonylmethyl)pyrrolidine

C6H11F2NO2S — CID 105452015

IUPAC3,3-difluoro-4-(methylsulfonylmethyl)pyrrolidine
SMILESCS(=O)(=O)CC1CNCC1(F)F
InChIInChI=1S/C6H11F2NO2S/c1-12(10,11)3-5-2-9-4-6(5,7)8/h5,9H,2-4H2,1H3
InChIKeyYWMSWAXVNLSQEA-UHFFFAOYSA-N
MW199.22 g/mol
LogP-0.11
Rot. Bonds2

About 3,3-difluoro-4-(methylsulfonylmethyl)pyrrolidine

3,3-difluoro-4-(methylsulfonylmethyl)pyrrolidine (PubChem CID 105452015) has the molecular formula C6H11F2NO2S and a molecular weight of 199.22 g/mol. Its IUPAC name is 3,3-difluoro-4-(methylsulfonylmethyl)pyrrolidine.

Molecular Properties

Compound Name3,3-difluoro-4-(methylsulfonylmethyl)pyrrolidine
PubChem CID105452015
Molecular FormulaC6H11F2NO2S
Molecular Weight199.22 g/mol
Exact Mass199.05
IUPAC Name3,3-difluoro-4-(methylsulfonylmethyl)pyrrolidine
SMILESCS(=O)(=O)CC1CNCC1(F)F
InChIInChI=1S/C6H11F2NO2S/c1-12(10,11)3-5-2-9-4-6(5,7)8/h5,9H,2-4H2,1H3
InChIKeyYWMSWAXVNLSQEA-UHFFFAOYSA-N
XLogP-0.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-(methylsulfonylmethyl)pyrrolidine?
The IUPAC name of 3,3-difluoro-4-(methylsulfonylmethyl)pyrrolidine (CID 105452015) is 3,3-difluoro-4-(methylsulfonylmethyl)pyrrolidine.
What is the SMILES notation for 3,3-difluoro-4-(methylsulfonylmethyl)pyrrolidine?
The canonical SMILES for 3,3-difluoro-4-(methylsulfonylmethyl)pyrrolidine is CS(=O)(=O)CC1CNCC1(F)F.
What is the InChIKey of 3,3-difluoro-4-(methylsulfonylmethyl)pyrrolidine?
The InChIKey is YWMSWAXVNLSQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2S/c1-12(10,11)3-5-2-9-4-6(5,7)8/h5,9H,2-4H2,1H3.
What are the key properties of 3,3-difluoro-4-(methylsulfonylmethyl)pyrrolidine?
3,3-difluoro-4-(methylsulfonylmethyl)pyrrolidine has a molecular weight of 199.22 g/mol, XLogP of -0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-(methylsulfonylmethyl)pyrrolidine is sourced from PubChem (CID 105452015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).