2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2-hydroxyethyl)octanamide

C10H6F15NO2 — CID 12040286

IUPAC2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2-hydroxyethyl)octanamide
SMILESO=C(NCCO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H6F15NO2/c11-4(12,3(28)26-1-2-27)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h27H,1-2H2,(H,26,28)
InChIKeyZATOFJIVPAZTIE-UHFFFAOYSA-N
MW457.13 g/mol
LogP3.47
Rot. Bonds8

About 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2-hydroxyethyl)octanamide

2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2-hydroxyethyl)octanamide (PubChem CID 12040286) has the molecular formula C10H6F15NO2 and a molecular weight of 457.13 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2-hydroxyethyl)octanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2-hydroxyethyl)octanamide
PubChem CID12040286
Molecular FormulaC10H6F15NO2
Molecular Weight457.13 g/mol
Exact Mass457.02
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2-hydroxyethyl)octanamide
SMILESO=C(NCCO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H6F15NO2/c11-4(12,3(28)26-1-2-27)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h27H,1-2H2,(H,26,28)
InChIKeyZATOFJIVPAZTIE-UHFFFAOYSA-N
XLogP3.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.13
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2-hydroxyethyl)octanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2-hydroxyethyl)octanamide (CID 12040286) is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2-hydroxyethyl)octanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2-hydroxyethyl)octanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2-hydroxyethyl)octanamide is O=C(NCCO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2-hydroxyethyl)octanamide?
The InChIKey is ZATOFJIVPAZTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F15NO2/c11-4(12,3(28)26-1-2-27)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h27H,1-2H2,(H,26,28).
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2-hydroxyethyl)octanamide?
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2-hydroxyethyl)octanamide has a molecular weight of 457.13 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2-hydroxyethyl)octanamide is sourced from PubChem (CID 12040286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).