3,3,3-trifluoro-N-methoxypropanamide

C4H6F3NO2 — CID 60731334

IUPAC3,3,3-trifluoro-N-methoxypropanamide
SMILESCONC(=O)CC(F)(F)F
InChIInChI=1S/C4H6F3NO2/c1-10-8-3(9)2-4(5,6)7/h2H2,1H3,(H,8,9)
InChIKeyMETKAAJYFRPSQR-UHFFFAOYSA-N
MW157.09 g/mol
LogP0.62
Rot. Bonds2

About 3,3,3-trifluoro-N-methoxypropanamide

3,3,3-trifluoro-N-methoxypropanamide (PubChem CID 60731334) has the molecular formula C4H6F3NO2 and a molecular weight of 157.09 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-methoxypropanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-methoxypropanamide
PubChem CID60731334
Molecular FormulaC4H6F3NO2
Molecular Weight157.09 g/mol
Exact Mass157.04
IUPAC Name3,3,3-trifluoro-N-methoxypropanamide
SMILESCONC(=O)CC(F)(F)F
InChIInChI=1S/C4H6F3NO2/c1-10-8-3(9)2-4(5,6)7/h2H2,1H3,(H,8,9)
InChIKeyMETKAAJYFRPSQR-UHFFFAOYSA-N
XLogP0.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.09
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-methoxypropanamide?
The IUPAC name of 3,3,3-trifluoro-N-methoxypropanamide (CID 60731334) is 3,3,3-trifluoro-N-methoxypropanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-methoxypropanamide?
The canonical SMILES for 3,3,3-trifluoro-N-methoxypropanamide is CONC(=O)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-methoxypropanamide?
The InChIKey is METKAAJYFRPSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3NO2/c1-10-8-3(9)2-4(5,6)7/h2H2,1H3,(H,8,9).
What are the key properties of 3,3,3-trifluoro-N-methoxypropanamide?
3,3,3-trifluoro-N-methoxypropanamide has a molecular weight of 157.09 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-methoxypropanamide is sourced from PubChem (CID 60731334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).