2-amino-N-(2,2-dimethyloxan-4-yl)-3,3,3-trifluoro-2-methylpropanamide

C11H19F3N2O2 — CID 83028454

IUPAC2-amino-N-(2,2-dimethyloxan-4-yl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCC1(C)CC(NC(=O)C(C)(N)C(F)(F)F)CCO1
InChIInChI=1S/C11H19F3N2O2/c1-9(2)6-7(4-5-18-9)16-8(17)10(3,15)11(12,13)14/h7H,4-6,15H2,1-3H3,(H,16,17)
InChIKeyJQNWXTYDXAVALN-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.34
Rot. Bonds2

About 2-amino-N-(2,2-dimethyloxan-4-yl)-3,3,3-trifluoro-2-methylpropanamide

2-amino-N-(2,2-dimethyloxan-4-yl)-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 83028454) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-amino-N-(2,2-dimethyloxan-4-yl)-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(2,2-dimethyloxan-4-yl)-3,3,3-trifluoro-2-methylpropanamide
PubChem CID83028454
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name2-amino-N-(2,2-dimethyloxan-4-yl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCC1(C)CC(NC(=O)C(C)(N)C(F)(F)F)CCO1
InChIInChI=1S/C11H19F3N2O2/c1-9(2)6-7(4-5-18-9)16-8(17)10(3,15)11(12,13)14/h7H,4-6,15H2,1-3H3,(H,16,17)
InChIKeyJQNWXTYDXAVALN-UHFFFAOYSA-N
XLogP1.34
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2-dimethyloxan-4-yl)-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-amino-N-(2,2-dimethyloxan-4-yl)-3,3,3-trifluoro-2-methylpropanamide (CID 83028454) is 2-amino-N-(2,2-dimethyloxan-4-yl)-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-(2,2-dimethyloxan-4-yl)-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-amino-N-(2,2-dimethyloxan-4-yl)-3,3,3-trifluoro-2-methylpropanamide is CC1(C)CC(NC(=O)C(C)(N)C(F)(F)F)CCO1.
What is the InChIKey of 2-amino-N-(2,2-dimethyloxan-4-yl)-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is JQNWXTYDXAVALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-9(2)6-7(4-5-18-9)16-8(17)10(3,15)11(12,13)14/h7H,4-6,15H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-N-(2,2-dimethyloxan-4-yl)-3,3,3-trifluoro-2-methylpropanamide?
2-amino-N-(2,2-dimethyloxan-4-yl)-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 268.28 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2-dimethyloxan-4-yl)-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 83028454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).