3-fluoro-1-(2-methyl-2-methylsulfonylpropyl)azetidine

C8H16FNO2S — CID 130669910

IUPAC3-fluoro-1-(2-methyl-2-methylsulfonylpropyl)azetidine
SMILESCC(C)(CN1CC(F)C1)S(C)(=O)=O
InChIInChI=1S/C8H16FNO2S/c1-8(2,13(3,11)12)6-10-4-7(9)5-10/h7H,4-6H2,1-3H3
InChIKeyXWLNJDMRGVVCQZ-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.46
Rot. Bonds3

About 3-fluoro-1-(2-methyl-2-methylsulfonylpropyl)azetidine

3-fluoro-1-(2-methyl-2-methylsulfonylpropyl)azetidine (PubChem CID 130669910) has the molecular formula C8H16FNO2S and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-fluoro-1-(2-methyl-2-methylsulfonylpropyl)azetidine.

Molecular Properties

Compound Name3-fluoro-1-(2-methyl-2-methylsulfonylpropyl)azetidine
PubChem CID130669910
Molecular FormulaC8H16FNO2S
Molecular Weight209.29 g/mol
Exact Mass209.09
IUPAC Name3-fluoro-1-(2-methyl-2-methylsulfonylpropyl)azetidine
SMILESCC(C)(CN1CC(F)C1)S(C)(=O)=O
InChIInChI=1S/C8H16FNO2S/c1-8(2,13(3,11)12)6-10-4-7(9)5-10/h7H,4-6H2,1-3H3
InChIKeyXWLNJDMRGVVCQZ-UHFFFAOYSA-N
XLogP0.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Fluoro-1-(2-methylsulfonylethyl)azetidine
CID 123907074
3-(Fluoromethyl)-1-methyl-3-methylsulfonylazetidine
CID 155466453
3-Fluoro-1-methyl-3-methylsulfonylazetidine
CID 155466454
3-Fluoro-1-methyl-3-propan-2-ylsulfonylazetidine
CID 164831350
3-(Fluoromethyl)-1-methyl-3-propan-2-ylsulfonylazetidine
CID 164831351
1-Tert-butylsulfonyl-3-fluoro-3-methylazetidine
CID 157343361
3-Tert-butylsulfonyl-1-methylazetidine
CID 59522773
1-Tert-butyl-3-tert-butylsulfonylazetidine
CID 59522777
1-(3-Methylbutyl)-3-methylsulfonylazetidine
CID 59761793
3-Methylsulfonyl-1-propylazetidine
CID 68093321
3-Methyl-1-(2-methylsulfonylethyl)azetidine
CID 68355484
1-Butyl-3-methylsulfonylazetidine
CID 89297911

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(2-methyl-2-methylsulfonylpropyl)azetidine?
The IUPAC name of 3-fluoro-1-(2-methyl-2-methylsulfonylpropyl)azetidine (CID 130669910) is 3-fluoro-1-(2-methyl-2-methylsulfonylpropyl)azetidine.
What is the SMILES notation for 3-fluoro-1-(2-methyl-2-methylsulfonylpropyl)azetidine?
The canonical SMILES for 3-fluoro-1-(2-methyl-2-methylsulfonylpropyl)azetidine is CC(C)(CN1CC(F)C1)S(C)(=O)=O.
What is the InChIKey of 3-fluoro-1-(2-methyl-2-methylsulfonylpropyl)azetidine?
The InChIKey is XWLNJDMRGVVCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2S/c1-8(2,13(3,11)12)6-10-4-7(9)5-10/h7H,4-6H2,1-3H3.
What are the key properties of 3-fluoro-1-(2-methyl-2-methylsulfonylpropyl)azetidine?
3-fluoro-1-(2-methyl-2-methylsulfonylpropyl)azetidine has a molecular weight of 209.29 g/mol, XLogP of 0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(2-methyl-2-methylsulfonylpropyl)azetidine is sourced from PubChem (CID 130669910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).