3-amino-3-methyl-N-(2,2,2-trifluoroethyl)butanamide

C7H13F3N2O — CID 64686138

IUPAC3-amino-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(C)(N)CC(=O)NCC(F)(F)F
InChIInChI=1S/C7H13F3N2O/c1-6(2,11)3-5(13)12-4-7(8,9)10/h3-4,11H2,1-2H3,(H,12,13)
InChIKeyOGJSXGMQYFTUDB-UHFFFAOYSA-N
MW198.19 g/mol
LogP0.79
Rot. Bonds3

About 3-amino-3-methyl-N-(2,2,2-trifluoroethyl)butanamide

3-amino-3-methyl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 64686138) has the molecular formula C7H13F3N2O and a molecular weight of 198.19 g/mol. Its IUPAC name is 3-amino-3-methyl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name3-amino-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID64686138
Molecular FormulaC7H13F3N2O
Molecular Weight198.19 g/mol
Exact Mass198.10
IUPAC Name3-amino-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(C)(N)CC(=O)NCC(F)(F)F
InChIInChI=1S/C7H13F3N2O/c1-6(2,11)3-5(13)12-4-7(8,9)10/h3-4,11H2,1-2H3,(H,12,13)
InChIKeyOGJSXGMQYFTUDB-UHFFFAOYSA-N
XLogP0.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 3-amino-3-methyl-N-(2,2,2-trifluoroethyl)butanamide (CID 64686138) is 3-amino-3-methyl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 3-amino-3-methyl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 3-amino-3-methyl-N-(2,2,2-trifluoroethyl)butanamide is CC(C)(N)CC(=O)NCC(F)(F)F.
What is the InChIKey of 3-amino-3-methyl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is OGJSXGMQYFTUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O/c1-6(2,11)3-5(13)12-4-7(8,9)10/h3-4,11H2,1-2H3,(H,12,13).
What are the key properties of 3-amino-3-methyl-N-(2,2,2-trifluoroethyl)butanamide?
3-amino-3-methyl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 198.19 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 64686138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).