N-tert-butylsulfonyl-2,2-difluoroacetamide

C6H11F2NO3S — CID 131057085

IUPACN-tert-butylsulfonyl-2,2-difluoroacetamide
SMILESCC(C)(C)S(=O)(=O)NC(=O)C(F)F
InChIInChI=1S/C6H11F2NO3S/c1-6(2,3)13(11,12)9-5(10)4(7)8/h4H,1-3H3,(H,9,10)
InChIKeyLUQBWKMYUCQNFU-UHFFFAOYSA-N
MW215.22 g/mol
LogP0.50
Rot. Bonds2

About N-tert-butylsulfonyl-2,2-difluoroacetamide

N-tert-butylsulfonyl-2,2-difluoroacetamide (PubChem CID 131057085) has the molecular formula C6H11F2NO3S and a molecular weight of 215.22 g/mol. Its IUPAC name is N-tert-butylsulfonyl-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-tert-butylsulfonyl-2,2-difluoroacetamide
PubChem CID131057085
Molecular FormulaC6H11F2NO3S
Molecular Weight215.22 g/mol
Exact Mass215.04
IUPAC NameN-tert-butylsulfonyl-2,2-difluoroacetamide
SMILESCC(C)(C)S(=O)(=O)NC(=O)C(F)F
InChIInChI=1S/C6H11F2NO3S/c1-6(2,3)13(11,12)9-5(10)4(7)8/h4H,1-3H3,(H,9,10)
InChIKeyLUQBWKMYUCQNFU-UHFFFAOYSA-N
XLogP0.50
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylsulfonyl-2,2-difluoroacetamide?
The IUPAC name of N-tert-butylsulfonyl-2,2-difluoroacetamide (CID 131057085) is N-tert-butylsulfonyl-2,2-difluoroacetamide.
What is the SMILES notation for N-tert-butylsulfonyl-2,2-difluoroacetamide?
The canonical SMILES for N-tert-butylsulfonyl-2,2-difluoroacetamide is CC(C)(C)S(=O)(=O)NC(=O)C(F)F.
What is the InChIKey of N-tert-butylsulfonyl-2,2-difluoroacetamide?
The InChIKey is LUQBWKMYUCQNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO3S/c1-6(2,3)13(11,12)9-5(10)4(7)8/h4H,1-3H3,(H,9,10).
What are the key properties of N-tert-butylsulfonyl-2,2-difluoroacetamide?
N-tert-butylsulfonyl-2,2-difluoroacetamide has a molecular weight of 215.22 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylsulfonyl-2,2-difluoroacetamide is sourced from PubChem (CID 131057085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).