1,1-difluoro-N,N-di(propan-2-yl)ethanesulfonamide

C8H17F2NO2S — CID 58122765

IUPAC1,1-difluoro-N,N-di(propan-2-yl)ethanesulfonamide
SMILESCC(C)N(C(C)C)S(=O)(=O)C(C)(F)F
InChIInChI=1S/C8H17F2NO2S/c1-6(2)11(7(3)4)14(12,13)8(5,9)10/h6-7H,1-5H3
InChIKeyTUELBWSTWNJDKS-UHFFFAOYSA-N
MW229.29 g/mol
LogP2.05
Rot. Bonds4

About 1,1-difluoro-N,N-di(propan-2-yl)ethanesulfonamide

1,1-difluoro-N,N-di(propan-2-yl)ethanesulfonamide (PubChem CID 58122765) has the molecular formula C8H17F2NO2S and a molecular weight of 229.29 g/mol. Its IUPAC name is 1,1-difluoro-N,N-di(propan-2-yl)ethanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N,N-di(propan-2-yl)ethanesulfonamide
PubChem CID58122765
Molecular FormulaC8H17F2NO2S
Molecular Weight229.29 g/mol
Exact Mass229.09
IUPAC Name1,1-difluoro-N,N-di(propan-2-yl)ethanesulfonamide
SMILESCC(C)N(C(C)C)S(=O)(=O)C(C)(F)F
InChIInChI=1S/C8H17F2NO2S/c1-6(2)11(7(3)4)14(12,13)8(5,9)10/h6-7H,1-5H3
InChIKeyTUELBWSTWNJDKS-UHFFFAOYSA-N
XLogP2.05
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N,N-di(propan-2-yl)ethanesulfonamide?
The IUPAC name of 1,1-difluoro-N,N-di(propan-2-yl)ethanesulfonamide (CID 58122765) is 1,1-difluoro-N,N-di(propan-2-yl)ethanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N,N-di(propan-2-yl)ethanesulfonamide?
The canonical SMILES for 1,1-difluoro-N,N-di(propan-2-yl)ethanesulfonamide is CC(C)N(C(C)C)S(=O)(=O)C(C)(F)F.
What is the InChIKey of 1,1-difluoro-N,N-di(propan-2-yl)ethanesulfonamide?
The InChIKey is TUELBWSTWNJDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO2S/c1-6(2)11(7(3)4)14(12,13)8(5,9)10/h6-7H,1-5H3.
What are the key properties of 1,1-difluoro-N,N-di(propan-2-yl)ethanesulfonamide?
1,1-difluoro-N,N-di(propan-2-yl)ethanesulfonamide has a molecular weight of 229.29 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N,N-di(propan-2-yl)ethanesulfonamide is sourced from PubChem (CID 58122765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).