3-fluoro-3-(methylsulfonylmethyl)azetidine

C5H10FNO2S — CID 155290175

IUPAC3-fluoro-3-(methylsulfonylmethyl)azetidine
SMILESCS(=O)(=O)CC1(F)CNC1
InChIInChI=1S/C5H10FNO2S/c1-10(8,9)4-5(6)2-7-3-5/h7H,2-4H2,1H3
InChIKeyWIUOZXBPQGRWME-UHFFFAOYSA-N
MW167.20 g/mol
LogP-0.66
Rot. Bonds2

About 3-fluoro-3-(methylsulfonylmethyl)azetidine

3-fluoro-3-(methylsulfonylmethyl)azetidine (PubChem CID 155290175) has the molecular formula C5H10FNO2S and a molecular weight of 167.20 g/mol. Its IUPAC name is 3-fluoro-3-(methylsulfonylmethyl)azetidine.

Molecular Properties

Compound Name3-fluoro-3-(methylsulfonylmethyl)azetidine
PubChem CID155290175
Molecular FormulaC5H10FNO2S
Molecular Weight167.20 g/mol
Exact Mass167.04
IUPAC Name3-fluoro-3-(methylsulfonylmethyl)azetidine
SMILESCS(=O)(=O)CC1(F)CNC1
InChIInChI=1S/C5H10FNO2S/c1-10(8,9)4-5(6)2-7-3-5/h7H,2-4H2,1H3
InChIKeyWIUOZXBPQGRWME-UHFFFAOYSA-N
XLogP-0.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(methylsulfonylmethyl)azetidine?
The IUPAC name of 3-fluoro-3-(methylsulfonylmethyl)azetidine (CID 155290175) is 3-fluoro-3-(methylsulfonylmethyl)azetidine.
What is the SMILES notation for 3-fluoro-3-(methylsulfonylmethyl)azetidine?
The canonical SMILES for 3-fluoro-3-(methylsulfonylmethyl)azetidine is CS(=O)(=O)CC1(F)CNC1.
What is the InChIKey of 3-fluoro-3-(methylsulfonylmethyl)azetidine?
The InChIKey is WIUOZXBPQGRWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNO2S/c1-10(8,9)4-5(6)2-7-3-5/h7H,2-4H2,1H3.
What are the key properties of 3-fluoro-3-(methylsulfonylmethyl)azetidine?
3-fluoro-3-(methylsulfonylmethyl)azetidine has a molecular weight of 167.20 g/mol, XLogP of -0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(methylsulfonylmethyl)azetidine is sourced from PubChem (CID 155290175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).