3-(2-tert-butylsulfonylethyl)-3-fluoroazetidine

C9H18FNO2S — CID 106735905

IUPAC3-(2-tert-butylsulfonylethyl)-3-fluoroazetidine
SMILESCC(C)(C)S(=O)(=O)CCC1(F)CNC1
InChIInChI=1S/C9H18FNO2S/c1-8(2,3)14(12,13)5-4-9(10)6-11-7-9/h11H,4-7H2,1-3H3
InChIKeyHQDIRKDWYUGKDB-UHFFFAOYSA-N
MW223.31 g/mol
LogP0.90
Rot. Bonds3

About 3-(2-tert-butylsulfonylethyl)-3-fluoroazetidine

3-(2-tert-butylsulfonylethyl)-3-fluoroazetidine (PubChem CID 106735905) has the molecular formula C9H18FNO2S and a molecular weight of 223.31 g/mol. Its IUPAC name is 3-(2-tert-butylsulfonylethyl)-3-fluoroazetidine.

Molecular Properties

Compound Name3-(2-tert-butylsulfonylethyl)-3-fluoroazetidine
PubChem CID106735905
Molecular FormulaC9H18FNO2S
Molecular Weight223.31 g/mol
Exact Mass223.10
IUPAC Name3-(2-tert-butylsulfonylethyl)-3-fluoroazetidine
SMILESCC(C)(C)S(=O)(=O)CCC1(F)CNC1
InChIInChI=1S/C9H18FNO2S/c1-8(2,3)14(12,13)5-4-9(10)6-11-7-9/h11H,4-7H2,1-3H3
InChIKeyHQDIRKDWYUGKDB-UHFFFAOYSA-N
XLogP0.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 50.90
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-Ethylsulfonylethyl)-3-fluoroazetidine
CID 106735906
3-Fluoro-3-(2-propan-2-ylsulfonylethyl)azetidine
CID 106735907
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-(2-tert-butylsulfonylethyl)-3-fluoroazetidine?
The IUPAC name of 3-(2-tert-butylsulfonylethyl)-3-fluoroazetidine (CID 106735905) is 3-(2-tert-butylsulfonylethyl)-3-fluoroazetidine.
What is the SMILES notation for 3-(2-tert-butylsulfonylethyl)-3-fluoroazetidine?
The canonical SMILES for 3-(2-tert-butylsulfonylethyl)-3-fluoroazetidine is CC(C)(C)S(=O)(=O)CCC1(F)CNC1.
What is the InChIKey of 3-(2-tert-butylsulfonylethyl)-3-fluoroazetidine?
The InChIKey is HQDIRKDWYUGKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO2S/c1-8(2,3)14(12,13)5-4-9(10)6-11-7-9/h11H,4-7H2,1-3H3.
What are the key properties of 3-(2-tert-butylsulfonylethyl)-3-fluoroazetidine?
3-(2-tert-butylsulfonylethyl)-3-fluoroazetidine has a molecular weight of 223.31 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butylsulfonylethyl)-3-fluoroazetidine is sourced from PubChem (CID 106735905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).