3-fluoro-1-methyl-3-propan-2-ylsulfonylazetidine

C7H14FNO2S — CID 164831350

IUPAC3-fluoro-1-methyl-3-propan-2-ylsulfonylazetidine
SMILESCC(C)S(=O)(=O)C1(F)CN(C)C1
InChIInChI=1S/C7H14FNO2S/c1-6(2)12(10,11)7(8)4-9(3)5-7/h6H,4-5H2,1-3H3
InChIKeyCAHXMLIYJFXYRP-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.42
Rot. Bonds2

About 3-fluoro-1-methyl-3-propan-2-ylsulfonylazetidine

3-fluoro-1-methyl-3-propan-2-ylsulfonylazetidine (PubChem CID 164831350) has the molecular formula C7H14FNO2S and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-fluoro-1-methyl-3-propan-2-ylsulfonylazetidine.

Molecular Properties

Compound Name3-fluoro-1-methyl-3-propan-2-ylsulfonylazetidine
PubChem CID164831350
Molecular FormulaC7H14FNO2S
Molecular Weight195.26 g/mol
Exact Mass195.07
IUPAC Name3-fluoro-1-methyl-3-propan-2-ylsulfonylazetidine
SMILESCC(C)S(=O)(=O)C1(F)CN(C)C1
InChIInChI=1S/C7H14FNO2S/c1-6(2)12(10,11)7(8)4-9(3)5-7/h6H,4-5H2,1-3H3
InChIKeyCAHXMLIYJFXYRP-UHFFFAOYSA-N
XLogP0.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.42
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-(Fluoromethyl)-1-methyl-3-propan-2-ylsulfonylazetidine
CID 164831351
(1,1-Dioxothietan-3-yl)-(2-fluoroethyl)-dimethylazanium
CID 178137021
N,N,2-trimethyl-1,1-dioxothietan-3-amine
CID 134895548
3-Fluoro-3-methyl-1-propan-2-ylsulfonylazetidine
CID 130639090
3-Fluoro-1-(2-methyl-2-methylsulfonylpropyl)azetidine
CID 130669910
3-Fluoro-1-(1-methylsulfonylpropan-2-yl)azetidine
CID 130684643
1-Ethylsulfonyl-3-fluoro-3-methylazetidine
CID 130991379
3-Fluoro-3-methyl-1-propylsulfonylazetidine
CID 131177035
1-Methyl-2-methylsulfonylazetidine
CID 18403242

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methyl-3-propan-2-ylsulfonylazetidine?
The IUPAC name of 3-fluoro-1-methyl-3-propan-2-ylsulfonylazetidine (CID 164831350) is 3-fluoro-1-methyl-3-propan-2-ylsulfonylazetidine.
What is the SMILES notation for 3-fluoro-1-methyl-3-propan-2-ylsulfonylazetidine?
The canonical SMILES for 3-fluoro-1-methyl-3-propan-2-ylsulfonylazetidine is CC(C)S(=O)(=O)C1(F)CN(C)C1.
What is the InChIKey of 3-fluoro-1-methyl-3-propan-2-ylsulfonylazetidine?
The InChIKey is CAHXMLIYJFXYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2S/c1-6(2)12(10,11)7(8)4-9(3)5-7/h6H,4-5H2,1-3H3.
What are the key properties of 3-fluoro-1-methyl-3-propan-2-ylsulfonylazetidine?
3-fluoro-1-methyl-3-propan-2-ylsulfonylazetidine has a molecular weight of 195.26 g/mol, XLogP of 0.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methyl-3-propan-2-ylsulfonylazetidine is sourced from PubChem (CID 164831350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).