3-fluoro-3-(3-methylsulfonylpropyl)azetidine

C7H14FNO2S — CID 112563382

IUPAC3-fluoro-3-(3-methylsulfonylpropyl)azetidine
SMILESCS(=O)(=O)CCCC1(F)CNC1
InChIInChI=1S/C7H14FNO2S/c1-12(10,11)4-2-3-7(8)5-9-6-7/h9H,2-6H2,1H3
InChIKeyKQRZWFGEXZNZFX-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.12
Rot. Bonds4

About 3-fluoro-3-(3-methylsulfonylpropyl)azetidine

3-fluoro-3-(3-methylsulfonylpropyl)azetidine (PubChem CID 112563382) has the molecular formula C7H14FNO2S and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-fluoro-3-(3-methylsulfonylpropyl)azetidine.

Molecular Properties

Compound Name3-fluoro-3-(3-methylsulfonylpropyl)azetidine
PubChem CID112563382
Molecular FormulaC7H14FNO2S
Molecular Weight195.26 g/mol
Exact Mass195.07
IUPAC Name3-fluoro-3-(3-methylsulfonylpropyl)azetidine
SMILESCS(=O)(=O)CCCC1(F)CNC1
InChIInChI=1S/C7H14FNO2S/c1-12(10,11)4-2-3-7(8)5-9-6-7/h9H,2-6H2,1H3
InChIKeyKQRZWFGEXZNZFX-UHFFFAOYSA-N
XLogP0.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(Fluoromethyl)-5-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 71306167
3-Fluoro-3-(2-propylsulfonylethyl)azetidine
CID 106735904
3-(2-Tert-butylsulfonylethyl)-3-fluoroazetidine
CID 106735905
3-(2-Ethylsulfonylethyl)-3-fluoroazetidine
CID 106735906
3-Fluoro-3-(2-propan-2-ylsulfonylethyl)azetidine
CID 106735907
3-Fluoro-3-(2-methylsulfonylethyl)azetidine
CID 112563328
3-(3-Ethylsulfonylpropyl)-3-fluoroazetidine
CID 112563515
8-Fluoro-5lambda6-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 131538421
3-Fluoro-3-(methylsulfonylmethyl)azetidine
CID 155290175
5-Thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 124249181
6-Methanesulfonyl-2-azaspiro[3.3]heptane
CID 138991410
N-methyl-1-(1-methylsulfonylcyclobutyl)methanamine
CID 62595114

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(3-methylsulfonylpropyl)azetidine?
The IUPAC name of 3-fluoro-3-(3-methylsulfonylpropyl)azetidine (CID 112563382) is 3-fluoro-3-(3-methylsulfonylpropyl)azetidine.
What is the SMILES notation for 3-fluoro-3-(3-methylsulfonylpropyl)azetidine?
The canonical SMILES for 3-fluoro-3-(3-methylsulfonylpropyl)azetidine is CS(=O)(=O)CCCC1(F)CNC1.
What is the InChIKey of 3-fluoro-3-(3-methylsulfonylpropyl)azetidine?
The InChIKey is KQRZWFGEXZNZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2S/c1-12(10,11)4-2-3-7(8)5-9-6-7/h9H,2-6H2,1H3.
What are the key properties of 3-fluoro-3-(3-methylsulfonylpropyl)azetidine?
3-fluoro-3-(3-methylsulfonylpropyl)azetidine has a molecular weight of 195.26 g/mol, XLogP of 0.12, 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)azetidine is sourced from PubChem (CID 112563382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).