1-tert-butylsulfonyl-3,3-difluoroazetidine

C7H13F2NO2S — CID 139475227

IUPAC1-tert-butylsulfonyl-3,3-difluoroazetidine
SMILESCC(C)(C)S(=O)(=O)N1CC(F)(F)C1
InChIInChI=1S/C7H13F2NO2S/c1-6(2,3)13(11,12)10-4-7(8,9)5-10/h4-5H2,1-3H3
InChIKeyOSZFWLBVBUHWEQ-UHFFFAOYSA-N
MW213.25 g/mol
LogP1.07
Rot. Bonds1

About 1-tert-butylsulfonyl-3,3-difluoroazetidine

1-tert-butylsulfonyl-3,3-difluoroazetidine (PubChem CID 139475227) has the molecular formula C7H13F2NO2S and a molecular weight of 213.25 g/mol. Its IUPAC name is 1-tert-butylsulfonyl-3,3-difluoroazetidine.

Molecular Properties

Compound Name1-tert-butylsulfonyl-3,3-difluoroazetidine
PubChem CID139475227
Molecular FormulaC7H13F2NO2S
Molecular Weight213.25 g/mol
Exact Mass213.06
IUPAC Name1-tert-butylsulfonyl-3,3-difluoroazetidine
SMILESCC(C)(C)S(=O)(=O)N1CC(F)(F)C1
InChIInChI=1S/C7H13F2NO2S/c1-6(2,3)13(11,12)10-4-7(8,9)5-10/h4-5H2,1-3H3
InChIKeyOSZFWLBVBUHWEQ-UHFFFAOYSA-N
XLogP1.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfonyl-3,3-difluoroazetidine?
The IUPAC name of 1-tert-butylsulfonyl-3,3-difluoroazetidine (CID 139475227) is 1-tert-butylsulfonyl-3,3-difluoroazetidine.
What is the SMILES notation for 1-tert-butylsulfonyl-3,3-difluoroazetidine?
The canonical SMILES for 1-tert-butylsulfonyl-3,3-difluoroazetidine is CC(C)(C)S(=O)(=O)N1CC(F)(F)C1.
What is the InChIKey of 1-tert-butylsulfonyl-3,3-difluoroazetidine?
The InChIKey is OSZFWLBVBUHWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO2S/c1-6(2,3)13(11,12)10-4-7(8,9)5-10/h4-5H2,1-3H3.
What are the key properties of 1-tert-butylsulfonyl-3,3-difluoroazetidine?
1-tert-butylsulfonyl-3,3-difluoroazetidine has a molecular weight of 213.25 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfonyl-3,3-difluoroazetidine is sourced from PubChem (CID 139475227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).