3,3-difluoro-1-(2,3,3-trimethylbutan-2-ylsulfonyl)azetidine

C10H19F2NO2S — CID 59634295

IUPAC3,3-difluoro-1-(2,3,3-trimethylbutan-2-ylsulfonyl)azetidine
SMILESCC(C)(C)C(C)(C)S(=O)(=O)N1CC(F)(F)C1
InChIInChI=1S/C10H19F2NO2S/c1-8(2,3)9(4,5)16(14,15)13-6-10(11,12)7-13/h6-7H2,1-5H3
InChIKeyRHKRNKGWBDYYIQ-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.09
Rot. Bonds2

About 3,3-difluoro-1-(2,3,3-trimethylbutan-2-ylsulfonyl)azetidine

3,3-difluoro-1-(2,3,3-trimethylbutan-2-ylsulfonyl)azetidine (PubChem CID 59634295) has the molecular formula C10H19F2NO2S and a molecular weight of 255.33 g/mol. Its IUPAC name is 3,3-difluoro-1-(2,3,3-trimethylbutan-2-ylsulfonyl)azetidine.

Molecular Properties

Compound Name3,3-difluoro-1-(2,3,3-trimethylbutan-2-ylsulfonyl)azetidine
PubChem CID59634295
Molecular FormulaC10H19F2NO2S
Molecular Weight255.33 g/mol
Exact Mass255.11
IUPAC Name3,3-difluoro-1-(2,3,3-trimethylbutan-2-ylsulfonyl)azetidine
SMILESCC(C)(C)C(C)(C)S(=O)(=O)N1CC(F)(F)C1
InChIInChI=1S/C10H19F2NO2S/c1-8(2,3)9(4,5)16(14,15)13-6-10(11,12)7-13/h6-7H2,1-5H3
InChIKeyRHKRNKGWBDYYIQ-UHFFFAOYSA-N
XLogP2.09
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,3-difluoro-1-(2,3,3-trimethylbutan-2-ylsulfonyl)azetidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(2,3,3-trimethylbutan-2-ylsulfonyl)azetidine?
The IUPAC name of 3,3-difluoro-1-(2,3,3-trimethylbutan-2-ylsulfonyl)azetidine (CID 59634295) is 3,3-difluoro-1-(2,3,3-trimethylbutan-2-ylsulfonyl)azetidine.
What is the SMILES notation for 3,3-difluoro-1-(2,3,3-trimethylbutan-2-ylsulfonyl)azetidine?
The canonical SMILES for 3,3-difluoro-1-(2,3,3-trimethylbutan-2-ylsulfonyl)azetidine is CC(C)(C)C(C)(C)S(=O)(=O)N1CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-(2,3,3-trimethylbutan-2-ylsulfonyl)azetidine?
The InChIKey is RHKRNKGWBDYYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO2S/c1-8(2,3)9(4,5)16(14,15)13-6-10(11,12)7-13/h6-7H2,1-5H3.
What are the key properties of 3,3-difluoro-1-(2,3,3-trimethylbutan-2-ylsulfonyl)azetidine?
3,3-difluoro-1-(2,3,3-trimethylbutan-2-ylsulfonyl)azetidine has a molecular weight of 255.33 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(2,3,3-trimethylbutan-2-ylsulfonyl)azetidine is sourced from PubChem (CID 59634295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).