3,3-difluoro-1-(2-methylpropylsulfonyl)azetidine

C7H13F2NO2S — CID 122269503

IUPAC3,3-difluoro-1-(2-methylpropylsulfonyl)azetidine
SMILESCC(C)CS(=O)(=O)N1CC(F)(F)C1
InChIInChI=1S/C7H13F2NO2S/c1-6(2)3-13(11,12)10-4-7(8,9)5-10/h6H,3-5H2,1-2H3
InChIKeyGOKWVPWOSODOTB-UHFFFAOYSA-N
MW213.25 g/mol
LogP0.92
Rot. Bonds3

About 3,3-difluoro-1-(2-methylpropylsulfonyl)azetidine

3,3-difluoro-1-(2-methylpropylsulfonyl)azetidine (PubChem CID 122269503) has the molecular formula C7H13F2NO2S and a molecular weight of 213.25 g/mol. Its IUPAC name is 3,3-difluoro-1-(2-methylpropylsulfonyl)azetidine.

Molecular Properties

Compound Name3,3-difluoro-1-(2-methylpropylsulfonyl)azetidine
PubChem CID122269503
Molecular FormulaC7H13F2NO2S
Molecular Weight213.25 g/mol
Exact Mass213.06
IUPAC Name3,3-difluoro-1-(2-methylpropylsulfonyl)azetidine
SMILESCC(C)CS(=O)(=O)N1CC(F)(F)C1
InChIInChI=1S/C7H13F2NO2S/c1-6(2)3-13(11,12)10-4-7(8,9)5-10/h6H,3-5H2,1-2H3
InChIKeyGOKWVPWOSODOTB-UHFFFAOYSA-N
XLogP0.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 50.92
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-methylpropylsulfonyl)azetidine?
The IUPAC name of 3,3-difluoro-1-(2-methylpropylsulfonyl)azetidine (CID 122269503) is 3,3-difluoro-1-(2-methylpropylsulfonyl)azetidine.
What is the SMILES notation for 3,3-difluoro-1-(2-methylpropylsulfonyl)azetidine?
The canonical SMILES for 3,3-difluoro-1-(2-methylpropylsulfonyl)azetidine is CC(C)CS(=O)(=O)N1CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-(2-methylpropylsulfonyl)azetidine?
The InChIKey is GOKWVPWOSODOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO2S/c1-6(2)3-13(11,12)10-4-7(8,9)5-10/h6H,3-5H2,1-2H3.
What are the key properties of 3,3-difluoro-1-(2-methylpropylsulfonyl)azetidine?
3,3-difluoro-1-(2-methylpropylsulfonyl)azetidine has a molecular weight of 213.25 g/mol, XLogP of 0.92, 3 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-methylpropylsulfonyl)azetidine is sourced from PubChem (CID 122269503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).