2,2,3,3,4,4,4-heptafluoro-N-(6-methyl-2-pyridinyl)butanamide

C10H7F7N2O — CID 3106080

IUPAC2,2,3,3,4,4,4-heptafluoro-N-(6-methyl-2-pyridinyl)butanamide
SMILESCc1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C10H7F7N2O/c1-5-3-2-4-6(18-5)19-7(20)8(11,12)9(13,14)10(15,16)17/h2-4H,1H3,(H,18,19,20)
InChIKeyLPBOTONDEPFKKE-UHFFFAOYSA-N
MW304.17 g/mol
LogP3.16
Rot. Bonds3

About 2,2,3,3,4,4,4-heptafluoro-N-(6-methyl-2-pyridinyl)butanamide

2,2,3,3,4,4,4-heptafluoro-N-(6-methyl-2-pyridinyl)butanamide (PubChem CID 3106080) has the molecular formula C10H7F7N2O and a molecular weight of 304.17 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N-(6-methyl-2-pyridinyl)butanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N-(6-methyl-2-pyridinyl)butanamide
PubChem CID3106080
Molecular FormulaC10H7F7N2O
Molecular Weight304.17 g/mol
Exact Mass304.04
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N-(6-methyl-2-pyridinyl)butanamide
SMILESCc1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C10H7F7N2O/c1-5-3-2-4-6(18-5)19-7(20)8(11,12)9(13,14)10(15,16)17/h2-4H,1H3,(H,18,19,20)
InChIKeyLPBOTONDEPFKKE-UHFFFAOYSA-N
XLogP3.16
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,3,3,4,4,4-heptafluoro-N-(6-methyl-2-pyridinyl)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-(6-methyl-2-pyridinyl)butanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-(6-methyl-2-pyridinyl)butanamide (CID 3106080) is 2,2,3,3,4,4,4-heptafluoro-N-(6-methyl-2-pyridinyl)butanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N-(6-methyl-2-pyridinyl)butanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N-(6-methyl-2-pyridinyl)butanamide is Cc1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)n1.
What is the InChIKey of 2,2,3,3,4,4,4-heptafluoro-N-(6-methyl-2-pyridinyl)butanamide?
The InChIKey is LPBOTONDEPFKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F7N2O/c1-5-3-2-4-6(18-5)19-7(20)8(11,12)9(13,14)10(15,16)17/h2-4H,1H3,(H,18,19,20).
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N-(6-methyl-2-pyridinyl)butanamide?
2,2,3,3,4,4,4-heptafluoro-N-(6-methyl-2-pyridinyl)butanamide has a molecular weight of 304.17 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,4-heptafluoro-N-(6-methyl-2-pyridinyl)butanamide is sourced from PubChem (CID 3106080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).