3-amino-2-methoxy-N-(2,2,2-trifluoroethyl)propanamide

C6H11F3N2O2 — CID 106111170

IUPAC3-amino-2-methoxy-N-(2,2,2-trifluoroethyl)propanamide
SMILESCOC(CN)C(=O)NCC(F)(F)F
InChIInChI=1S/C6H11F3N2O2/c1-13-4(2-10)5(12)11-3-6(7,8)9/h4H,2-3,10H2,1H3,(H,11,12)
InChIKeyZIIFPOLJKOZJJN-UHFFFAOYSA-N
MW200.16 g/mol
LogP-0.36
Rot. Bonds4

About 3-amino-2-methoxy-N-(2,2,2-trifluoroethyl)propanamide

3-amino-2-methoxy-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 106111170) has the molecular formula C6H11F3N2O2 and a molecular weight of 200.16 g/mol. Its IUPAC name is 3-amino-2-methoxy-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-amino-2-methoxy-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID106111170
Molecular FormulaC6H11F3N2O2
Molecular Weight200.16 g/mol
Exact Mass200.08
IUPAC Name3-amino-2-methoxy-N-(2,2,2-trifluoroethyl)propanamide
SMILESCOC(CN)C(=O)NCC(F)(F)F
InChIInChI=1S/C6H11F3N2O2/c1-13-4(2-10)5(12)11-3-6(7,8)9/h4H,2-3,10H2,1H3,(H,11,12)
InChIKeyZIIFPOLJKOZJJN-UHFFFAOYSA-N
XLogP-0.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxy-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3-amino-2-methoxy-N-(2,2,2-trifluoroethyl)propanamide (CID 106111170) is 3-amino-2-methoxy-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-amino-2-methoxy-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-amino-2-methoxy-N-(2,2,2-trifluoroethyl)propanamide is COC(CN)C(=O)NCC(F)(F)F.
What is the InChIKey of 3-amino-2-methoxy-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is ZIIFPOLJKOZJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O2/c1-13-4(2-10)5(12)11-3-6(7,8)9/h4H,2-3,10H2,1H3,(H,11,12).
What are the key properties of 3-amino-2-methoxy-N-(2,2,2-trifluoroethyl)propanamide?
3-amino-2-methoxy-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 200.16 g/mol, XLogP of -0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methoxy-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 106111170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).