3-fluoro-3-(2-propan-2-ylsulfonylethyl)azetidine

C8H16FNO2S — CID 106735907

IUPAC3-fluoro-3-(2-propan-2-ylsulfonylethyl)azetidine
SMILESCC(C)S(=O)(=O)CCC1(F)CNC1
InChIInChI=1S/C8H16FNO2S/c1-7(2)13(11,12)4-3-8(9)5-10-6-8/h7,10H,3-6H2,1-2H3
InChIKeyDSMVEEDUVPAMHM-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.51
Rot. Bonds4

About 3-fluoro-3-(2-propan-2-ylsulfonylethyl)azetidine

3-fluoro-3-(2-propan-2-ylsulfonylethyl)azetidine (PubChem CID 106735907) has the molecular formula C8H16FNO2S and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-fluoro-3-(2-propan-2-ylsulfonylethyl)azetidine.

Molecular Properties

Compound Name3-fluoro-3-(2-propan-2-ylsulfonylethyl)azetidine
PubChem CID106735907
Molecular FormulaC8H16FNO2S
Molecular Weight209.29 g/mol
Exact Mass209.09
IUPAC Name3-fluoro-3-(2-propan-2-ylsulfonylethyl)azetidine
SMILESCC(C)S(=O)(=O)CCC1(F)CNC1
InChIInChI=1S/C8H16FNO2S/c1-7(2)13(11,12)4-3-8(9)5-10-6-8/h7,10H,3-6H2,1-2H3
InChIKeyDSMVEEDUVPAMHM-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

N-Methyl-4-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butane-1-sulfonyl]butan-1-amine
CID 86696847
4-(5-fluoropentan-2-ylsulfonyl)-N-methylbutan-1-amine
CID 123190551
3-(3-Fluoropropylsulfonylmethyl)azetidine
CID 81196939
3-[(2-Fluoroethanesulfonyl)methyl]azetidine
CID 81197943
3-Fluoro-3-(2-propylsulfonylethyl)azetidine
CID 106735904
3-(2-Tert-butylsulfonylethyl)-3-fluoroazetidine
CID 106735905
3-(2-Ethylsulfonylethyl)-3-fluoroazetidine
CID 106735906
2-Fluoro-2-methyl-4-propylsulfonylbutan-1-amine
CID 106735925
4-Tert-butylsulfonyl-2-fluoro-2-methylbutan-1-amine
CID 106735926
2-Fluoro-2-methyl-4-propan-2-ylsulfonylbutan-1-amine
CID 106735928
3-Fluoro-3-(2-methylsulfonylethyl)azetidine
CID 112563328
3-Fluoro-3-(3-methylsulfonylpropyl)azetidine
CID 112563382

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(2-propan-2-ylsulfonylethyl)azetidine?
The IUPAC name of 3-fluoro-3-(2-propan-2-ylsulfonylethyl)azetidine (CID 106735907) is 3-fluoro-3-(2-propan-2-ylsulfonylethyl)azetidine.
What is the SMILES notation for 3-fluoro-3-(2-propan-2-ylsulfonylethyl)azetidine?
The canonical SMILES for 3-fluoro-3-(2-propan-2-ylsulfonylethyl)azetidine is CC(C)S(=O)(=O)CCC1(F)CNC1.
What is the InChIKey of 3-fluoro-3-(2-propan-2-ylsulfonylethyl)azetidine?
The InChIKey is DSMVEEDUVPAMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2S/c1-7(2)13(11,12)4-3-8(9)5-10-6-8/h7,10H,3-6H2,1-2H3.
What are the key properties of 3-fluoro-3-(2-propan-2-ylsulfonylethyl)azetidine?
3-fluoro-3-(2-propan-2-ylsulfonylethyl)azetidine 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-(2-propan-2-ylsulfonylethyl)azetidine is sourced from PubChem (CID 106735907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).