2,2,3,3-tetrafluoro-N-(2-phenylethyl)propanamide

C11H11F4NO — CID 2249412

IUPAC2,2,3,3-tetrafluoro-N-(2-phenylethyl)propanamide
SMILESO=C(NCCc1ccccc1)C(F)(F)C(F)F
InChIInChI=1S/C11H11F4NO/c12-9(13)11(14,15)10(17)16-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,16,17)
InChIKeyWBRNXKMOVUUDBB-UHFFFAOYSA-N
MW249.21 g/mol
LogP2.25
Rot. Bonds5

About 2,2,3,3-tetrafluoro-N-(2-phenylethyl)propanamide

2,2,3,3-tetrafluoro-N-(2-phenylethyl)propanamide (PubChem CID 2249412) has the molecular formula C11H11F4NO and a molecular weight of 249.21 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(2-phenylethyl)propanamide
PubChem CID2249412
Molecular FormulaC11H11F4NO
Molecular Weight249.21 g/mol
Exact Mass249.08
IUPAC Name2,2,3,3-tetrafluoro-N-(2-phenylethyl)propanamide
SMILESO=C(NCCc1ccccc1)C(F)(F)C(F)F
InChIInChI=1S/C11H11F4NO/c12-9(13)11(14,15)10(17)16-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,16,17)
InChIKeyWBRNXKMOVUUDBB-UHFFFAOYSA-N
XLogP2.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.21
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-(2-phenylethyl)propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(2-phenylethyl)propanamide (CID 2249412) is 2,2,3,3-tetrafluoro-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(2-phenylethyl)propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(2-phenylethyl)propanamide is O=C(NCCc1ccccc1)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(2-phenylethyl)propanamide?
The InChIKey is WBRNXKMOVUUDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4NO/c12-9(13)11(14,15)10(17)16-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,16,17).
What are the key properties of 2,2,3,3-tetrafluoro-N-(2-phenylethyl)propanamide?
2,2,3,3-tetrafluoro-N-(2-phenylethyl)propanamide has a molecular weight of 249.21 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 2249412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).