3-(fluoromethyl)-1-methyl-3-propan-2-ylsulfonylazetidine

C8H16FNO2S — CID 164831351

IUPAC3-(fluoromethyl)-1-methyl-3-propan-2-ylsulfonylazetidine
SMILESCC(C)S(=O)(=O)C1(CF)CN(C)C1
InChIInChI=1S/C8H16FNO2S/c1-7(2)13(11,12)8(4-9)5-10(3)6-8/h7H,4-6H2,1-3H3
InChIKeySZVVLPYFLKUSLQ-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.46
Rot. Bonds3

About 3-(fluoromethyl)-1-methyl-3-propan-2-ylsulfonylazetidine

3-(fluoromethyl)-1-methyl-3-propan-2-ylsulfonylazetidine (PubChem CID 164831351) has the molecular formula C8H16FNO2S and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-(fluoromethyl)-1-methyl-3-propan-2-ylsulfonylazetidine.

Molecular Properties

Compound Name3-(fluoromethyl)-1-methyl-3-propan-2-ylsulfonylazetidine
PubChem CID164831351
Molecular FormulaC8H16FNO2S
Molecular Weight209.29 g/mol
Exact Mass209.09
IUPAC Name3-(fluoromethyl)-1-methyl-3-propan-2-ylsulfonylazetidine
SMILESCC(C)S(=O)(=O)C1(CF)CN(C)C1
InChIInChI=1S/C8H16FNO2S/c1-7(2)13(11,12)8(4-9)5-10(3)6-8/h7H,4-6H2,1-3H3
InChIKeySZVVLPYFLKUSLQ-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
1-(2,2-Dimethylpropylsulfonyl)-3-fluoro-3-methylazetidine
CID 167557218
3-Fluoro-3-methyl-1-(2-methylpropylsulfonyl)azetidine
CID 130657588
3-Fluoro-1-(2-methyl-2-methylsulfonylpropyl)azetidine
CID 130669910
4-(3-fluoro-3-methylbutyl)sulfonyl-N,N-dimethylbutan-1-amine
CID 157417918
4-(3-Fluoro-3-methylbutyl)sulfonylbutyl-trimethylazanium
CID 158715572
1-Tert-butyl-3-(2,2,2-trifluoroethylsulfonylmethyl)azetidine
CID 159142905
3-Tert-butylsulfonyl-1-methylazetidine
CID 59522773
1-Tert-butyl-3-tert-butylsulfonylazetidine
CID 59522777

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-1-methyl-3-propan-2-ylsulfonylazetidine?
The IUPAC name of 3-(fluoromethyl)-1-methyl-3-propan-2-ylsulfonylazetidine (CID 164831351) is 3-(fluoromethyl)-1-methyl-3-propan-2-ylsulfonylazetidine.
What is the SMILES notation for 3-(fluoromethyl)-1-methyl-3-propan-2-ylsulfonylazetidine?
The canonical SMILES for 3-(fluoromethyl)-1-methyl-3-propan-2-ylsulfonylazetidine is CC(C)S(=O)(=O)C1(CF)CN(C)C1.
What is the InChIKey of 3-(fluoromethyl)-1-methyl-3-propan-2-ylsulfonylazetidine?
The InChIKey is SZVVLPYFLKUSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2S/c1-7(2)13(11,12)8(4-9)5-10(3)6-8/h7H,4-6H2,1-3H3.
What are the key properties of 3-(fluoromethyl)-1-methyl-3-propan-2-ylsulfonylazetidine?
3-(fluoromethyl)-1-methyl-3-propan-2-ylsulfonylazetidine 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-(fluoromethyl)-1-methyl-3-propan-2-ylsulfonylazetidine is sourced from PubChem (CID 164831351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).