2,2,3,3,4,4,4-heptafluoro-N-(2-phenylethyl)butanamide

C12H10F7NO — CID 568862

IUPAC2,2,3,3,4,4,4-heptafluoro-N-(2-phenylethyl)butanamide
SMILESO=C(NCCc1ccccc1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H10F7NO/c13-10(14,11(15,16)12(17,18)19)9(21)20-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,20,21)
InChIKeyGLZLEBAUVDLNEX-UHFFFAOYSA-N
MW317.20 g/mol
LogP3.18
Rot. Bonds5

About 2,2,3,3,4,4,4-heptafluoro-N-(2-phenylethyl)butanamide

2,2,3,3,4,4,4-heptafluoro-N-(2-phenylethyl)butanamide (PubChem CID 568862) has the molecular formula C12H10F7NO and a molecular weight of 317.20 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N-(2-phenylethyl)butanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N-(2-phenylethyl)butanamide
PubChem CID568862
Molecular FormulaC12H10F7NO
Molecular Weight317.20 g/mol
Exact Mass317.07
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N-(2-phenylethyl)butanamide
SMILESO=C(NCCc1ccccc1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H10F7NO/c13-10(14,11(15,16)12(17,18)19)9(21)20-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,20,21)
InChIKeyGLZLEBAUVDLNEX-UHFFFAOYSA-N
XLogP3.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2,3,3,4,4,4-heptafluoro-N-(2-phenylethyl)butanamide 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 2,2,3,3,4,4,4-heptafluoro-N-(2-phenylethyl)butanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-(2-phenylethyl)butanamide (CID 568862) is 2,2,3,3,4,4,4-heptafluoro-N-(2-phenylethyl)butanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N-(2-phenylethyl)butanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N-(2-phenylethyl)butanamide is O=C(NCCc1ccccc1)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,4-heptafluoro-N-(2-phenylethyl)butanamide?
The InChIKey is GLZLEBAUVDLNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F7NO/c13-10(14,11(15,16)12(17,18)19)9(21)20-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,20,21).
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N-(2-phenylethyl)butanamide?
2,2,3,3,4,4,4-heptafluoro-N-(2-phenylethyl)butanamide has a molecular weight of 317.20 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,4-heptafluoro-N-(2-phenylethyl)butanamide is sourced from PubChem (CID 568862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).