N-tert-butyl-4,4,4-trifluorobutane-1-sulfonamide

C8H16F3NO2S — CID 83068035

IUPACN-tert-butyl-4,4,4-trifluorobutane-1-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C8H16F3NO2S/c1-7(2,3)12-15(13,14)6-4-5-8(9,10)11/h12H,4-6H2,1-3H3
InChIKeyAFTPYRXTSWZYDM-UHFFFAOYSA-N
MW247.28 g/mol
LogP2.05
Rot. Bonds4

About N-tert-butyl-4,4,4-trifluorobutane-1-sulfonamide

N-tert-butyl-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83068035) has the molecular formula C8H16F3NO2S and a molecular weight of 247.28 g/mol. Its IUPAC name is N-tert-butyl-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83068035
Molecular FormulaC8H16F3NO2S
Molecular Weight247.28 g/mol
Exact Mass247.09
IUPAC NameN-tert-butyl-4,4,4-trifluorobutane-1-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C8H16F3NO2S/c1-7(2,3)12-15(13,14)6-4-5-8(9,10)11/h12H,4-6H2,1-3H3
InChIKeyAFTPYRXTSWZYDM-UHFFFAOYSA-N
XLogP2.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-tert-butyl-4,4,4-trifluorobutane-1-sulfonamide (CID 83068035) is N-tert-butyl-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-tert-butyl-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-tert-butyl-4,4,4-trifluorobutane-1-sulfonamide is CC(C)(C)NS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-tert-butyl-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is AFTPYRXTSWZYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO2S/c1-7(2,3)12-15(13,14)6-4-5-8(9,10)11/h12H,4-6H2,1-3H3.
What are the key properties of N-tert-butyl-4,4,4-trifluorobutane-1-sulfonamide?
N-tert-butyl-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 247.28 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83068035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).