2,2,3,3-tetrafluoro-N-methoxypropanamide

C4H5F4NO2 — CID 103732493

IUPAC2,2,3,3-tetrafluoro-N-methoxypropanamide
SMILESCONC(=O)C(F)(F)C(F)F
InChIInChI=1S/C4H5F4NO2/c1-11-9-3(10)4(7,8)2(5)6/h2H,1H3,(H,9,10)
InChIKeyVAKARRYGQDMDBW-UHFFFAOYSA-N
MW175.08 g/mol
LogP0.56
Rot. Bonds3

About 2,2,3,3-tetrafluoro-N-methoxypropanamide

2,2,3,3-tetrafluoro-N-methoxypropanamide (PubChem CID 103732493) has the molecular formula C4H5F4NO2 and a molecular weight of 175.08 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-methoxypropanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-methoxypropanamide
PubChem CID103732493
Molecular FormulaC4H5F4NO2
Molecular Weight175.08 g/mol
Exact Mass175.03
IUPAC Name2,2,3,3-tetrafluoro-N-methoxypropanamide
SMILESCONC(=O)C(F)(F)C(F)F
InChIInChI=1S/C4H5F4NO2/c1-11-9-3(10)4(7,8)2(5)6/h2H,1H3,(H,9,10)
InChIKeyVAKARRYGQDMDBW-UHFFFAOYSA-N
XLogP0.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.08
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,3,3-tetrafluoro-N-methoxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-methoxypropanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-methoxypropanamide (CID 103732493) is 2,2,3,3-tetrafluoro-N-methoxypropanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-methoxypropanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-methoxypropanamide is CONC(=O)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-methoxypropanamide?
The InChIKey is VAKARRYGQDMDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F4NO2/c1-11-9-3(10)4(7,8)2(5)6/h2H,1H3,(H,9,10).
What are the key properties of 2,2,3,3-tetrafluoro-N-methoxypropanamide?
2,2,3,3-tetrafluoro-N-methoxypropanamide has a molecular weight of 175.08 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-methoxypropanamide is sourced from PubChem (CID 103732493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).