2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(2-fluorophenyl)heptanamide

C13H5F14NO — CID 3121130

IUPAC2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(2-fluorophenyl)heptanamide
SMILESO=C(Nc1ccccc1F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H5F14NO/c14-5-3-1-2-4-6(5)28-7(29)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)27/h1-4H,(H,28,29)
InChIKeyREBUWUYBQWMKCM-UHFFFAOYSA-N
MW457.16 g/mol
LogP5.50
Rot. Bonds6

About 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(2-fluorophenyl)heptanamide

2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(2-fluorophenyl)heptanamide (PubChem CID 3121130) has the molecular formula C13H5F14NO and a molecular weight of 457.16 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(2-fluorophenyl)heptanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(2-fluorophenyl)heptanamide
PubChem CID3121130
Molecular FormulaC13H5F14NO
Molecular Weight457.16 g/mol
Exact Mass457.01
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(2-fluorophenyl)heptanamide
SMILESO=C(Nc1ccccc1F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H5F14NO/c14-5-3-1-2-4-6(5)28-7(29)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)27/h1-4H,(H,28,29)
InChIKeyREBUWUYBQWMKCM-UHFFFAOYSA-N
XLogP5.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.16
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(2-fluorophenyl)heptanamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(2-fluorophenyl)heptanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(2-fluorophenyl)heptanamide (CID 3121130) is 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(2-fluorophenyl)heptanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(2-fluorophenyl)heptanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(2-fluorophenyl)heptanamide is O=C(Nc1ccccc1F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(2-fluorophenyl)heptanamide?
The InChIKey is REBUWUYBQWMKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5F14NO/c14-5-3-1-2-4-6(5)28-7(29)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)27/h1-4H,(H,28,29).
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(2-fluorophenyl)heptanamide?
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(2-fluorophenyl)heptanamide has a molecular weight of 457.16 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(2-fluorophenyl)heptanamide is sourced from PubChem (CID 3121130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).