2-amino-3,3,3-trifluoro-2-methyl-N-(oxan-3-yl)propanamide

C9H15F3N2O2 — CID 79810792

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-(oxan-3-yl)propanamide
SMILESCC(N)(C(=O)NC1CCCOC1)C(F)(F)F
InChIInChI=1S/C9H15F3N2O2/c1-8(13,9(10,11)12)7(15)14-6-3-2-4-16-5-6/h6H,2-5,13H2,1H3,(H,14,15)
InChIKeyZHQMKLVFIFTSJP-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.56
Rot. Bonds2

About 2-amino-3,3,3-trifluoro-2-methyl-N-(oxan-3-yl)propanamide

2-amino-3,3,3-trifluoro-2-methyl-N-(oxan-3-yl)propanamide (PubChem CID 79810792) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-(oxan-3-yl)propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-(oxan-3-yl)propanamide
PubChem CID79810792
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-(oxan-3-yl)propanamide
SMILESCC(N)(C(=O)NC1CCCOC1)C(F)(F)F
InChIInChI=1S/C9H15F3N2O2/c1-8(13,9(10,11)12)7(15)14-6-3-2-4-16-5-6/h6H,2-5,13H2,1H3,(H,14,15)
InChIKeyZHQMKLVFIFTSJP-UHFFFAOYSA-N
XLogP0.56
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(oxan-3-yl)propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(oxan-3-yl)propanamide (CID 79810792) is 2-amino-3,3,3-trifluoro-2-methyl-N-(oxan-3-yl)propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-(oxan-3-yl)propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-(oxan-3-yl)propanamide is CC(N)(C(=O)NC1CCCOC1)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-(oxan-3-yl)propanamide?
The InChIKey is ZHQMKLVFIFTSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c1-8(13,9(10,11)12)7(15)14-6-3-2-4-16-5-6/h6H,2-5,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-(oxan-3-yl)propanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-(oxan-3-yl)propanamide has a molecular weight of 240.22 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-2-methyl-N-(oxan-3-yl)propanamide is sourced from PubChem (CID 79810792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).