3-amino-2-methoxy-N-(5,5,5-trifluoropentyl)propanamide

C9H17F3N2O2 — CID 106113424

IUPAC3-amino-2-methoxy-N-(5,5,5-trifluoropentyl)propanamide
SMILESCOC(CN)C(=O)NCCCCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-16-7(6-13)8(15)14-5-3-2-4-9(10,11)12/h7H,2-6,13H2,1H3,(H,14,15)
InChIKeyVXOMEVOHIUMUFW-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.81
Rot. Bonds7

About 3-amino-2-methoxy-N-(5,5,5-trifluoropentyl)propanamide

3-amino-2-methoxy-N-(5,5,5-trifluoropentyl)propanamide (PubChem CID 106113424) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 3-amino-2-methoxy-N-(5,5,5-trifluoropentyl)propanamide.

Molecular Properties

Compound Name3-amino-2-methoxy-N-(5,5,5-trifluoropentyl)propanamide
PubChem CID106113424
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC Name3-amino-2-methoxy-N-(5,5,5-trifluoropentyl)propanamide
SMILESCOC(CN)C(=O)NCCCCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-16-7(6-13)8(15)14-5-3-2-4-9(10,11)12/h7H,2-6,13H2,1H3,(H,14,15)
InChIKeyVXOMEVOHIUMUFW-UHFFFAOYSA-N
XLogP0.81
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxy-N-(5,5,5-trifluoropentyl)propanamide?
The IUPAC name of 3-amino-2-methoxy-N-(5,5,5-trifluoropentyl)propanamide (CID 106113424) is 3-amino-2-methoxy-N-(5,5,5-trifluoropentyl)propanamide.
What is the SMILES notation for 3-amino-2-methoxy-N-(5,5,5-trifluoropentyl)propanamide?
The canonical SMILES for 3-amino-2-methoxy-N-(5,5,5-trifluoropentyl)propanamide is COC(CN)C(=O)NCCCCC(F)(F)F.
What is the InChIKey of 3-amino-2-methoxy-N-(5,5,5-trifluoropentyl)propanamide?
The InChIKey is VXOMEVOHIUMUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-16-7(6-13)8(15)14-5-3-2-4-9(10,11)12/h7H,2-6,13H2,1H3,(H,14,15).
What are the key properties of 3-amino-2-methoxy-N-(5,5,5-trifluoropentyl)propanamide?
3-amino-2-methoxy-N-(5,5,5-trifluoropentyl)propanamide has a molecular weight of 242.24 g/mol, XLogP of 0.81, 7 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-(5,5,5-trifluoropentyl)propanamide is sourced from PubChem (CID 106113424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).