3-fluoro-3-methyl-1-methylsulfonylazetidine

C5H10FNO2S — CID 131151812

IUPAC3-fluoro-3-methyl-1-methylsulfonylazetidine
SMILESCC1(F)CN(S(C)(=O)=O)C1
InChIInChI=1S/C5H10FNO2S/c1-5(6)3-7(4-5)10(2,8)9/h3-4H2,1-2H3
InChIKeySKRNHKOVELOODO-UHFFFAOYSA-N
MW167.20 g/mol
LogP-0.01
Rot. Bonds1

About 3-fluoro-3-methyl-1-methylsulfonylazetidine

3-fluoro-3-methyl-1-methylsulfonylazetidine (PubChem CID 131151812) has the molecular formula C5H10FNO2S and a molecular weight of 167.20 g/mol. Its IUPAC name is 3-fluoro-3-methyl-1-methylsulfonylazetidine.

Molecular Properties

Compound Name3-fluoro-3-methyl-1-methylsulfonylazetidine
PubChem CID131151812
Molecular FormulaC5H10FNO2S
Molecular Weight167.20 g/mol
Exact Mass167.04
IUPAC Name3-fluoro-3-methyl-1-methylsulfonylazetidine
SMILESCC1(F)CN(S(C)(=O)=O)C1
InChIInChI=1S/C5H10FNO2S/c1-5(6)3-7(4-5)10(2,8)9/h3-4H2,1-2H3
InChIKeySKRNHKOVELOODO-UHFFFAOYSA-N
XLogP-0.01
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(Methylsulfonyl)azetidine
CID 232153
3,3-Difluoro-1-methylsulfonylazetidine
CID 89959683
3,3-Dimethyl-1-(trifluoromethylsulfonyl)azetidine
CID 123629088
1-(Difluoromethylsulfonyl)-3-methylazetidine
CID 131201380
N-(2-fluoropropyl)-N-methylmethanesulfonamide
CID 142548580
3-Fluoro-1-methylsulfonyl-3-propan-2-ylazetidine
CID 169895050
3-Ethyl-3-fluoro-1-methylsulfonylazetidine
CID 169895480
1-(Bromomethylsulfonyl)-3-fluoro-3-methylazetidine
CID 130611908
3-Fluoro-3-methyl-1-propan-2-ylsulfonylazetidine
CID 130639090
1-Ethylsulfonyl-3-fluoro-3-methylazetidine
CID 130991379
1-(Difluoromethylsulfonyl)-3,3-dimethylazetidine
CID 131089160
1-Cyclopropylsulfonyl-3-fluoro-3-methylazetidine
CID 131131845

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methyl-1-methylsulfonylazetidine?
The IUPAC name of 3-fluoro-3-methyl-1-methylsulfonylazetidine (CID 131151812) is 3-fluoro-3-methyl-1-methylsulfonylazetidine.
What is the SMILES notation for 3-fluoro-3-methyl-1-methylsulfonylazetidine?
The canonical SMILES for 3-fluoro-3-methyl-1-methylsulfonylazetidine is CC1(F)CN(S(C)(=O)=O)C1.
What is the InChIKey of 3-fluoro-3-methyl-1-methylsulfonylazetidine?
The InChIKey is SKRNHKOVELOODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNO2S/c1-5(6)3-7(4-5)10(2,8)9/h3-4H2,1-2H3.
What are the key properties of 3-fluoro-3-methyl-1-methylsulfonylazetidine?
3-fluoro-3-methyl-1-methylsulfonylazetidine has a molecular weight of 167.20 g/mol, XLogP of -0.01, 1 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-methylsulfonylazetidine is sourced from PubChem (CID 131151812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).