2,2,3,3,3-pentafluoro-N-methoxy-N-methylpropanamide

C5H6F5NO2 — CID 76764512

IUPAC2,2,3,3,3-pentafluoro-N-methoxy-N-methylpropanamide
SMILESCON(C)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H6F5NO2/c1-11(13-2)3(12)4(6,7)5(8,9)10/h1-2H3
InChIKeySLHCIBMPKCHJAO-UHFFFAOYSA-N
MW207.10 g/mol
LogP1.20
Rot. Bonds2

About 2,2,3,3,3-pentafluoro-N-methoxy-N-methylpropanamide

2,2,3,3,3-pentafluoro-N-methoxy-N-methylpropanamide (PubChem CID 76764512) has the molecular formula C5H6F5NO2 and a molecular weight of 207.10 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-methoxy-N-methylpropanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-methoxy-N-methylpropanamide
PubChem CID76764512
Molecular FormulaC5H6F5NO2
Molecular Weight207.10 g/mol
Exact Mass207.03
IUPAC Name2,2,3,3,3-pentafluoro-N-methoxy-N-methylpropanamide
SMILESCON(C)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H6F5NO2/c1-11(13-2)3(12)4(6,7)5(8,9)10/h1-2H3
InChIKeySLHCIBMPKCHJAO-UHFFFAOYSA-N
XLogP1.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.10
LogP ≤ 51.20
H-Bond Donors ≤ 50
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 2,2,3,3,3-pentafluoro-N-methoxy-N-methylpropanamide 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 2,2,3,3,3-pentafluoro-N-methoxy-N-methylpropanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-methoxy-N-methylpropanamide (CID 76764512) is 2,2,3,3,3-pentafluoro-N-methoxy-N-methylpropanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-methoxy-N-methylpropanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-methoxy-N-methylpropanamide is CON(C)C(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-methoxy-N-methylpropanamide?
The InChIKey is SLHCIBMPKCHJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F5NO2/c1-11(13-2)3(12)4(6,7)5(8,9)10/h1-2H3.
What are the key properties of 2,2,3,3,3-pentafluoro-N-methoxy-N-methylpropanamide?
2,2,3,3,3-pentafluoro-N-methoxy-N-methylpropanamide has a molecular weight of 207.10 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-methoxy-N-methylpropanamide is sourced from PubChem (CID 76764512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).