N-tert-butyl-N,1,1,1-tetrafluoromethanesulfonamide

C5H9F4NO2S — CID 15507528

IUPACN-tert-butyl-N,1,1,1-tetrafluoromethanesulfonamide
SMILESCC(C)(C)N(F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H9F4NO2S/c1-4(2,3)10(9)13(11,12)5(6,7)8/h1-3H3
InChIKeyRFCKLFBURINXKO-UHFFFAOYSA-N
MW223.19 g/mol
LogP1.82
Rot. Bonds1

About N-tert-butyl-N,1,1,1-tetrafluoromethanesulfonamide

N-tert-butyl-N,1,1,1-tetrafluoromethanesulfonamide (PubChem CID 15507528) has the molecular formula C5H9F4NO2S and a molecular weight of 223.19 g/mol. Its IUPAC name is N-tert-butyl-N,1,1,1-tetrafluoromethanesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-N,1,1,1-tetrafluoromethanesulfonamide
PubChem CID15507528
Molecular FormulaC5H9F4NO2S
Molecular Weight223.19 g/mol
Exact Mass223.03
IUPAC NameN-tert-butyl-N,1,1,1-tetrafluoromethanesulfonamide
SMILESCC(C)(C)N(F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H9F4NO2S/c1-4(2,3)10(9)13(11,12)5(6,7)8/h1-3H3
InChIKeyRFCKLFBURINXKO-UHFFFAOYSA-N
XLogP1.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N,1,1,1-tetrafluoromethanesulfonamide?
The IUPAC name of N-tert-butyl-N,1,1,1-tetrafluoromethanesulfonamide (CID 15507528) is N-tert-butyl-N,1,1,1-tetrafluoromethanesulfonamide.
What is the SMILES notation for N-tert-butyl-N,1,1,1-tetrafluoromethanesulfonamide?
The canonical SMILES for N-tert-butyl-N,1,1,1-tetrafluoromethanesulfonamide is CC(C)(C)N(F)S(=O)(=O)C(F)(F)F.
What is the InChIKey of N-tert-butyl-N,1,1,1-tetrafluoromethanesulfonamide?
The InChIKey is RFCKLFBURINXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F4NO2S/c1-4(2,3)10(9)13(11,12)5(6,7)8/h1-3H3.
What are the key properties of N-tert-butyl-N,1,1,1-tetrafluoromethanesulfonamide?
N-tert-butyl-N,1,1,1-tetrafluoromethanesulfonamide has a molecular weight of 223.19 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N,1,1,1-tetrafluoromethanesulfonamide is sourced from PubChem (CID 15507528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).