2,2,3,3,3-pentafluoro-N-(2-methoxyethyl)-N-prop-2-enylpropanamide

C9H12F5NO2 — CID 114038267

IUPAC2,2,3,3,3-pentafluoro-N-(2-methoxyethyl)-N-prop-2-enylpropanamide
SMILESC=CCN(CCOC)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H12F5NO2/c1-3-4-15(5-6-17-2)7(16)8(10,11)9(12,13)14/h3H,1,4-6H2,2H3
InChIKeyPCVJHJZYKMTZKD-UHFFFAOYSA-N
MW261.19 g/mol
LogP1.85
Rot. Bonds6

About 2,2,3,3,3-pentafluoro-N-(2-methoxyethyl)-N-prop-2-enylpropanamide

2,2,3,3,3-pentafluoro-N-(2-methoxyethyl)-N-prop-2-enylpropanamide (PubChem CID 114038267) has the molecular formula C9H12F5NO2 and a molecular weight of 261.19 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-(2-methoxyethyl)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-(2-methoxyethyl)-N-prop-2-enylpropanamide
PubChem CID114038267
Molecular FormulaC9H12F5NO2
Molecular Weight261.19 g/mol
Exact Mass261.08
IUPAC Name2,2,3,3,3-pentafluoro-N-(2-methoxyethyl)-N-prop-2-enylpropanamide
SMILESC=CCN(CCOC)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H12F5NO2/c1-3-4-15(5-6-17-2)7(16)8(10,11)9(12,13)14/h3H,1,4-6H2,2H3
InChIKeyPCVJHJZYKMTZKD-UHFFFAOYSA-N
XLogP1.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.19
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,3,3,3-pentafluoro-N-(2-methoxyethyl)-N-prop-2-enylpropanamide 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-(2-methoxyethyl)-N-prop-2-enylpropanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-(2-methoxyethyl)-N-prop-2-enylpropanamide (CID 114038267) is 2,2,3,3,3-pentafluoro-N-(2-methoxyethyl)-N-prop-2-enylpropanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-(2-methoxyethyl)-N-prop-2-enylpropanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-(2-methoxyethyl)-N-prop-2-enylpropanamide is C=CCN(CCOC)C(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-(2-methoxyethyl)-N-prop-2-enylpropanamide?
The InChIKey is PCVJHJZYKMTZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F5NO2/c1-3-4-15(5-6-17-2)7(16)8(10,11)9(12,13)14/h3H,1,4-6H2,2H3.
What are the key properties of 2,2,3,3,3-pentafluoro-N-(2-methoxyethyl)-N-prop-2-enylpropanamide?
2,2,3,3,3-pentafluoro-N-(2-methoxyethyl)-N-prop-2-enylpropanamide has a molecular weight of 261.19 g/mol, XLogP of 1.85, 6 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-(2-methoxyethyl)-N-prop-2-enylpropanamide is sourced from PubChem (CID 114038267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).