N-(2,2-dimethylpropyl)-2,2,2-trifluoroethanesulfonamide

C7H14F3NO2S — CID 21027126

IUPACN-(2,2-dimethylpropyl)-2,2,2-trifluoroethanesulfonamide
SMILESCC(C)(C)CNS(=O)(=O)CC(F)(F)F
InChIInChI=1S/C7H14F3NO2S/c1-6(2,3)4-11-14(12,13)5-7(8,9)10/h11H,4-5H2,1-3H3
InChIKeyOJZFUSIFZUOTEO-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.51
Rot. Bonds3

About N-(2,2-dimethylpropyl)-2,2,2-trifluoroethanesulfonamide

N-(2,2-dimethylpropyl)-2,2,2-trifluoroethanesulfonamide (PubChem CID 21027126) has the molecular formula C7H14F3NO2S and a molecular weight of 233.25 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2,2,2-trifluoroethanesulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2,2,2-trifluoroethanesulfonamide
PubChem CID21027126
Molecular FormulaC7H14F3NO2S
Molecular Weight233.25 g/mol
Exact Mass233.07
IUPAC NameN-(2,2-dimethylpropyl)-2,2,2-trifluoroethanesulfonamide
SMILESCC(C)(C)CNS(=O)(=O)CC(F)(F)F
InChIInChI=1S/C7H14F3NO2S/c1-6(2,3)4-11-14(12,13)5-7(8,9)10/h11H,4-5H2,1-3H3
InChIKeyOJZFUSIFZUOTEO-UHFFFAOYSA-N
XLogP1.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-2,2,2-trifluoroethanesulfonamide?
The IUPAC name of N-(2,2-dimethylpropyl)-2,2,2-trifluoroethanesulfonamide (CID 21027126) is N-(2,2-dimethylpropyl)-2,2,2-trifluoroethanesulfonamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2,2,2-trifluoroethanesulfonamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-2,2,2-trifluoroethanesulfonamide is CC(C)(C)CNS(=O)(=O)CC(F)(F)F.
What is the InChIKey of N-(2,2-dimethylpropyl)-2,2,2-trifluoroethanesulfonamide?
The InChIKey is OJZFUSIFZUOTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO2S/c1-6(2,3)4-11-14(12,13)5-7(8,9)10/h11H,4-5H2,1-3H3.
What are the key properties of N-(2,2-dimethylpropyl)-2,2,2-trifluoroethanesulfonamide?
N-(2,2-dimethylpropyl)-2,2,2-trifluoroethanesulfonamide has a molecular weight of 233.25 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-2,2,2-trifluoroethanesulfonamide is sourced from PubChem (CID 21027126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).