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

C9H17F2NO2S — CID 139475228

IUPAC3,3-difluoro-1-(2-methylpentan-2-ylsulfonyl)azetidine
SMILESCCCC(C)(C)S(=O)(=O)N1CC(F)(F)C1
InChIInChI=1S/C9H17F2NO2S/c1-4-5-8(2,3)15(13,14)12-6-9(10,11)7-12/h4-7H2,1-3H3
InChIKeyNDNAWLTWWPJZFB-UHFFFAOYSA-N
MW241.30 g/mol
LogP1.85
Rot. Bonds4

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

3,3-difluoro-1-(2-methylpentan-2-ylsulfonyl)azetidine (PubChem CID 139475228) has the molecular formula C9H17F2NO2S and a molecular weight of 241.30 g/mol. Its IUPAC name is 3,3-difluoro-1-(2-methylpentan-2-ylsulfonyl)azetidine.

Molecular Properties

Compound Name3,3-difluoro-1-(2-methylpentan-2-ylsulfonyl)azetidine
PubChem CID139475228
Molecular FormulaC9H17F2NO2S
Molecular Weight241.30 g/mol
Exact Mass241.09
IUPAC Name3,3-difluoro-1-(2-methylpentan-2-ylsulfonyl)azetidine
SMILESCCCC(C)(C)S(=O)(=O)N1CC(F)(F)C1
InChIInChI=1S/C9H17F2NO2S/c1-4-5-8(2,3)15(13,14)12-6-9(10,11)7-12/h4-7H2,1-3H3
InChIKeyNDNAWLTWWPJZFB-UHFFFAOYSA-N
XLogP1.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(2-methylpentan-2-ylsulfonyl)azetidine?
The IUPAC name of 3,3-difluoro-1-(2-methylpentan-2-ylsulfonyl)azetidine (CID 139475228) is 3,3-difluoro-1-(2-methylpentan-2-ylsulfonyl)azetidine.
What is the SMILES notation for 3,3-difluoro-1-(2-methylpentan-2-ylsulfonyl)azetidine?
The canonical SMILES for 3,3-difluoro-1-(2-methylpentan-2-ylsulfonyl)azetidine is CCCC(C)(C)S(=O)(=O)N1CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-(2-methylpentan-2-ylsulfonyl)azetidine?
The InChIKey is NDNAWLTWWPJZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO2S/c1-4-5-8(2,3)15(13,14)12-6-9(10,11)7-12/h4-7H2,1-3H3.
What are the key properties of 3,3-difluoro-1-(2-methylpentan-2-ylsulfonyl)azetidine?
3,3-difluoro-1-(2-methylpentan-2-ylsulfonyl)azetidine has a molecular weight of 241.30 g/mol, XLogP of 1.85, 4 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-methylpentan-2-ylsulfonyl)azetidine is sourced from PubChem (CID 139475228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).