N-(2,2-dimethylpropyl)-1,1,1-trifluoro-N-methylmethanesulfonamide

C7H14F3NO2S — CID 134368278

IUPACN-(2,2-dimethylpropyl)-1,1,1-trifluoro-N-methylmethanesulfonamide
SMILESCN(CC(C)(C)C)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H14F3NO2S/c1-6(2,3)5-11(4)14(12,13)7(8,9)10/h5H2,1-4H3
InChIKeyOTPWKZZLKAYXKF-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.81
Rot. Bonds2

About N-(2,2-dimethylpropyl)-1,1,1-trifluoro-N-methylmethanesulfonamide

N-(2,2-dimethylpropyl)-1,1,1-trifluoro-N-methylmethanesulfonamide (PubChem CID 134368278) has the molecular formula C7H14F3NO2S and a molecular weight of 233.25 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-1,1,1-trifluoro-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-1,1,1-trifluoro-N-methylmethanesulfonamide
PubChem CID134368278
Molecular FormulaC7H14F3NO2S
Molecular Weight233.25 g/mol
Exact Mass233.07
IUPAC NameN-(2,2-dimethylpropyl)-1,1,1-trifluoro-N-methylmethanesulfonamide
SMILESCN(CC(C)(C)C)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H14F3NO2S/c1-6(2,3)5-11(4)14(12,13)7(8,9)10/h5H2,1-4H3
InChIKeyOTPWKZZLKAYXKF-UHFFFAOYSA-N
XLogP1.81
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-1,1,1-trifluoro-N-methylmethanesulfonamide?
The IUPAC name of N-(2,2-dimethylpropyl)-1,1,1-trifluoro-N-methylmethanesulfonamide (CID 134368278) is N-(2,2-dimethylpropyl)-1,1,1-trifluoro-N-methylmethanesulfonamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-1,1,1-trifluoro-N-methylmethanesulfonamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-1,1,1-trifluoro-N-methylmethanesulfonamide is CN(CC(C)(C)C)S(=O)(=O)C(F)(F)F.
What is the InChIKey of N-(2,2-dimethylpropyl)-1,1,1-trifluoro-N-methylmethanesulfonamide?
The InChIKey is OTPWKZZLKAYXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO2S/c1-6(2,3)5-11(4)14(12,13)7(8,9)10/h5H2,1-4H3.
What are the key properties of N-(2,2-dimethylpropyl)-1,1,1-trifluoro-N-methylmethanesulfonamide?
N-(2,2-dimethylpropyl)-1,1,1-trifluoro-N-methylmethanesulfonamide has a molecular weight of 233.25 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-1,1,1-trifluoro-N-methylmethanesulfonamide is sourced from PubChem (CID 134368278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).