4,4,5,5,6,6,7,7,7-nonafluoroheptanamide

C7H6F9NO — CID 14400489

IUPAC4,4,5,5,6,6,7,7,7-nonafluoroheptanamide
SMILESNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H6F9NO/c8-4(9,2-1-3(17)18)5(10,11)6(12,13)7(14,15)16/h1-2H2,(H2,17,18)
InChIKeyURNPURYOMHJWCE-UHFFFAOYSA-N
MW291.11 g/mol
LogP2.72
Rot. Bonds5

About 4,4,5,5,6,6,7,7,7-nonafluoroheptanamide

4,4,5,5,6,6,7,7,7-nonafluoroheptanamide (PubChem CID 14400489) has the molecular formula C7H6F9NO and a molecular weight of 291.11 g/mol. Its IUPAC name is 4,4,5,5,6,6,7,7,7-nonafluoroheptanamide.

Molecular Properties

Compound Name4,4,5,5,6,6,7,7,7-nonafluoroheptanamide
PubChem CID14400489
Molecular FormulaC7H6F9NO
Molecular Weight291.11 g/mol
Exact Mass291.03
IUPAC Name4,4,5,5,6,6,7,7,7-nonafluoroheptanamide
SMILESNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H6F9NO/c8-4(9,2-1-3(17)18)5(10,11)6(12,13)7(14,15)16/h1-2H2,(H2,17,18)
InChIKeyURNPURYOMHJWCE-UHFFFAOYSA-N
XLogP2.72
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.11
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4,4,5,5,6,6,7,7,7-nonafluoroheptanamide 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 4,4,5,5,6,6,7,7,7-nonafluoroheptanamide?
The IUPAC name of 4,4,5,5,6,6,7,7,7-nonafluoroheptanamide (CID 14400489) is 4,4,5,5,6,6,7,7,7-nonafluoroheptanamide.
What is the SMILES notation for 4,4,5,5,6,6,7,7,7-nonafluoroheptanamide?
The canonical SMILES for 4,4,5,5,6,6,7,7,7-nonafluoroheptanamide is NC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 4,4,5,5,6,6,7,7,7-nonafluoroheptanamide?
The InChIKey is URNPURYOMHJWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F9NO/c8-4(9,2-1-3(17)18)5(10,11)6(12,13)7(14,15)16/h1-2H2,(H2,17,18).
What are the key properties of 4,4,5,5,6,6,7,7,7-nonafluoroheptanamide?
4,4,5,5,6,6,7,7,7-nonafluoroheptanamide has a molecular weight of 291.11 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,6,7,7,7-nonafluoroheptanamide is sourced from PubChem (CID 14400489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).