3-fluoro-3-methyl-1-(2-methylpropylsulfonyl)azetidine

C8H16FNO2S — CID 130657588

IUPAC3-fluoro-3-methyl-1-(2-methylpropylsulfonyl)azetidine
SMILESCC(C)CS(=O)(=O)N1CC(C)(F)C1
InChIInChI=1S/C8H16FNO2S/c1-7(2)4-13(11,12)10-5-8(3,9)6-10/h7H,4-6H2,1-3H3
InChIKeyWAXGBRLFMCGNIS-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.02
Rot. Bonds3

About 3-fluoro-3-methyl-1-(2-methylpropylsulfonyl)azetidine

3-fluoro-3-methyl-1-(2-methylpropylsulfonyl)azetidine (PubChem CID 130657588) has the molecular formula C8H16FNO2S and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-fluoro-3-methyl-1-(2-methylpropylsulfonyl)azetidine.

Molecular Properties

Compound Name3-fluoro-3-methyl-1-(2-methylpropylsulfonyl)azetidine
PubChem CID130657588
Molecular FormulaC8H16FNO2S
Molecular Weight209.29 g/mol
Exact Mass209.09
IUPAC Name3-fluoro-3-methyl-1-(2-methylpropylsulfonyl)azetidine
SMILESCC(C)CS(=O)(=O)N1CC(C)(F)C1
InChIInChI=1S/C8H16FNO2S/c1-7(2)4-13(11,12)10-5-8(3,9)6-10/h7H,4-6H2,1-3H3
InChIKeyWAXGBRLFMCGNIS-UHFFFAOYSA-N
XLogP1.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Fluoromethyl)-1-methyl-3-propan-2-ylsulfonylazetidine
CID 164831351
1-(2,2-Dimethylpropylsulfonyl)-3,3-difluoroazetidine
CID 167544020
1-(2,2-Dimethylpropylsulfonyl)-3-fluoro-3-methylazetidine
CID 167557218
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide
CID 61357190
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 61357191
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 61383739
1-(Cyclohexylsulfonyl)-3-(fluoromethyl)azetidine
CID 121185064
3,3-Difluoro-1-(isobutylsulfonyl)azetidine
CID 122269503
3-Fluoro-3-methyl-1-propan-2-ylsulfonylazetidine
CID 130639090
1-Ethylsulfonyl-3-fluoro-3-methylazetidine
CID 130991379
1-Cyclopropylsulfonyl-3-fluoro-3-methylazetidine
CID 131131845
3-Fluoro-3-methyl-1-propylsulfonylazetidine
CID 131177035

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methyl-1-(2-methylpropylsulfonyl)azetidine?
The IUPAC name of 3-fluoro-3-methyl-1-(2-methylpropylsulfonyl)azetidine (CID 130657588) is 3-fluoro-3-methyl-1-(2-methylpropylsulfonyl)azetidine.
What is the SMILES notation for 3-fluoro-3-methyl-1-(2-methylpropylsulfonyl)azetidine?
The canonical SMILES for 3-fluoro-3-methyl-1-(2-methylpropylsulfonyl)azetidine is CC(C)CS(=O)(=O)N1CC(C)(F)C1.
What is the InChIKey of 3-fluoro-3-methyl-1-(2-methylpropylsulfonyl)azetidine?
The InChIKey is WAXGBRLFMCGNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2S/c1-7(2)4-13(11,12)10-5-8(3,9)6-10/h7H,4-6H2,1-3H3.
What are the key properties of 3-fluoro-3-methyl-1-(2-methylpropylsulfonyl)azetidine?
3-fluoro-3-methyl-1-(2-methylpropylsulfonyl)azetidine has a molecular weight of 209.29 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methyl-1-(2-methylpropylsulfonyl)azetidine is sourced from PubChem (CID 130657588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).