N-tert-butylsulfonyl-2,2,2-trifluoroacetamide

C6H10F3NO3S — CID 176600724

IUPACN-tert-butylsulfonyl-2,2,2-trifluoroacetamide
SMILESCC(C)(C)S(=O)(=O)NC(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO3S/c1-5(2,3)14(12,13)10-4(11)6(7,8)9/h1-3H3,(H,10,11)
InChIKeyBBAKFTVHDCFMBC-UHFFFAOYSA-N
MW233.21 g/mol
LogP0.79
Rot. Bonds1

About N-tert-butylsulfonyl-2,2,2-trifluoroacetamide

N-tert-butylsulfonyl-2,2,2-trifluoroacetamide (PubChem CID 176600724) has the molecular formula C6H10F3NO3S and a molecular weight of 233.21 g/mol. Its IUPAC name is N-tert-butylsulfonyl-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-tert-butylsulfonyl-2,2,2-trifluoroacetamide
PubChem CID176600724
Molecular FormulaC6H10F3NO3S
Molecular Weight233.21 g/mol
Exact Mass233.03
IUPAC NameN-tert-butylsulfonyl-2,2,2-trifluoroacetamide
SMILESCC(C)(C)S(=O)(=O)NC(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO3S/c1-5(2,3)14(12,13)10-4(11)6(7,8)9/h1-3H3,(H,10,11)
InChIKeyBBAKFTVHDCFMBC-UHFFFAOYSA-N
XLogP0.79
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylsulfonyl-2,2,2-trifluoroacetamide?
The IUPAC name of N-tert-butylsulfonyl-2,2,2-trifluoroacetamide (CID 176600724) is N-tert-butylsulfonyl-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-tert-butylsulfonyl-2,2,2-trifluoroacetamide?
The canonical SMILES for N-tert-butylsulfonyl-2,2,2-trifluoroacetamide is CC(C)(C)S(=O)(=O)NC(=O)C(F)(F)F.
What is the InChIKey of N-tert-butylsulfonyl-2,2,2-trifluoroacetamide?
The InChIKey is BBAKFTVHDCFMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO3S/c1-5(2,3)14(12,13)10-4(11)6(7,8)9/h1-3H3,(H,10,11).
What are the key properties of N-tert-butylsulfonyl-2,2,2-trifluoroacetamide?
N-tert-butylsulfonyl-2,2,2-trifluoroacetamide has a molecular weight of 233.21 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylsulfonyl-2,2,2-trifluoroacetamide is sourced from PubChem (CID 176600724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).