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

C9H17F3N2O — CID 65264280

IUPAC3-amino-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(C)(N)C(C)(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-7(2,8(3,4)13)6(15)14-5-9(10,11)12/h5,13H2,1-4H3,(H,14,15)
InChIKeyUXMVRYGJJXFEPE-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.43
Rot. Bonds3

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

3-amino-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 65264280) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-amino-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name3-amino-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID65264280
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name3-amino-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(C)(N)C(C)(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-7(2,8(3,4)13)6(15)14-5-9(10,11)12/h5,13H2,1-4H3,(H,14,15)
InChIKeyUXMVRYGJJXFEPE-UHFFFAOYSA-N
XLogP1.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 3-amino-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide (CID 65264280) is 3-amino-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 3-amino-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 3-amino-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide is CC(C)(N)C(C)(C)C(=O)NCC(F)(F)F.
What is the InChIKey of 3-amino-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is UXMVRYGJJXFEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-7(2,8(3,4)13)6(15)14-5-9(10,11)12/h5,13H2,1-4H3,(H,14,15).
What are the key properties of 3-amino-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide?
3-amino-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 226.24 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 65264280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).