1-(2,3-dimethylbutan-2-ylsulfonyl)-3,3-difluoroazetidine

C9H17F2NO2S — CID 70828008

IUPAC1-(2,3-dimethylbutan-2-ylsulfonyl)-3,3-difluoroazetidine
SMILESCC(C)C(C)(C)S(=O)(=O)N1CC(F)(F)C1
InChIInChI=1S/C9H17F2NO2S/c1-7(2)8(3,4)15(13,14)12-5-9(10,11)6-12/h7H,5-6H2,1-4H3
InChIKeyGNUYJQCVMPSFQS-UHFFFAOYSA-N
MW241.30 g/mol
LogP1.70
Rot. Bonds3

About 1-(2,3-dimethylbutan-2-ylsulfonyl)-3,3-difluoroazetidine

1-(2,3-dimethylbutan-2-ylsulfonyl)-3,3-difluoroazetidine (PubChem CID 70828008) has the molecular formula C9H17F2NO2S and a molecular weight of 241.30 g/mol. Its IUPAC name is 1-(2,3-dimethylbutan-2-ylsulfonyl)-3,3-difluoroazetidine.

Molecular Properties

Compound Name1-(2,3-dimethylbutan-2-ylsulfonyl)-3,3-difluoroazetidine
PubChem CID70828008
Molecular FormulaC9H17F2NO2S
Molecular Weight241.30 g/mol
Exact Mass241.09
IUPAC Name1-(2,3-dimethylbutan-2-ylsulfonyl)-3,3-difluoroazetidine
SMILESCC(C)C(C)(C)S(=O)(=O)N1CC(F)(F)C1
InChIInChI=1S/C9H17F2NO2S/c1-7(2)8(3,4)15(13,14)12-5-9(10,11)6-12/h7H,5-6H2,1-4H3
InChIKeyGNUYJQCVMPSFQS-UHFFFAOYSA-N
XLogP1.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-Difluoro-1-(2,3,3-trimethylbutan-2-ylsulfonyl)azetidine
CID 59634295
1-Tert-butylsulfonyl-3,3-difluoroazetidine
CID 139475227
3,3-Difluoro-1-(2-methylpentan-2-ylsulfonyl)azetidine
CID 139475228
3,3-Difluoro-1-(isobutylsulfonyl)azetidine
CID 122269503
1-Tert-butylsulfonyl-3-fluoro-3-methylazetidine
CID 157343361
1-(2,3-Dimethylbutan-2-ylsulfonyl)azetidine
CID 68068916

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylbutan-2-ylsulfonyl)-3,3-difluoroazetidine?
The IUPAC name of 1-(2,3-dimethylbutan-2-ylsulfonyl)-3,3-difluoroazetidine (CID 70828008) is 1-(2,3-dimethylbutan-2-ylsulfonyl)-3,3-difluoroazetidine.
What is the SMILES notation for 1-(2,3-dimethylbutan-2-ylsulfonyl)-3,3-difluoroazetidine?
The canonical SMILES for 1-(2,3-dimethylbutan-2-ylsulfonyl)-3,3-difluoroazetidine is CC(C)C(C)(C)S(=O)(=O)N1CC(F)(F)C1.
What is the InChIKey of 1-(2,3-dimethylbutan-2-ylsulfonyl)-3,3-difluoroazetidine?
The InChIKey is GNUYJQCVMPSFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO2S/c1-7(2)8(3,4)15(13,14)12-5-9(10,11)6-12/h7H,5-6H2,1-4H3.
What are the key properties of 1-(2,3-dimethylbutan-2-ylsulfonyl)-3,3-difluoroazetidine?
1-(2,3-dimethylbutan-2-ylsulfonyl)-3,3-difluoroazetidine has a molecular weight of 241.30 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylbutan-2-ylsulfonyl)-3,3-difluoroazetidine is sourced from PubChem (CID 70828008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).