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

C11H10F13NO2 — CID 543811

IUPAC2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(4-hydroxybutyl)heptanamide
SMILESO=C(NCCCCO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H10F13NO2/c12-6(13,5(27)25-3-1-2-4-26)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h26H,1-4H2,(H,25,27)
InChIKeyDKFWODRQHYQJGM-UHFFFAOYSA-N
MW435.18 g/mol
LogP3.61
Rot. Bonds9

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

2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(4-hydroxybutyl)heptanamide (PubChem CID 543811) has the molecular formula C11H10F13NO2 and a molecular weight of 435.18 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(4-hydroxybutyl)heptanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(4-hydroxybutyl)heptanamide
PubChem CID543811
Molecular FormulaC11H10F13NO2
Molecular Weight435.18 g/mol
Exact Mass435.05
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(4-hydroxybutyl)heptanamide
SMILESO=C(NCCCCO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H10F13NO2/c12-6(13,5(27)25-3-1-2-4-26)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h26H,1-4H2,(H,25,27)
InChIKeyDKFWODRQHYQJGM-UHFFFAOYSA-N
XLogP3.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.18
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(4-hydroxybutyl)heptanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(4-hydroxybutyl)heptanamide (CID 543811) is 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(4-hydroxybutyl)heptanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(4-hydroxybutyl)heptanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(4-hydroxybutyl)heptanamide is O=C(NCCCCO)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-(4-hydroxybutyl)heptanamide?
The InChIKey is DKFWODRQHYQJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F13NO2/c12-6(13,5(27)25-3-1-2-4-26)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h26H,1-4H2,(H,25,27).
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(4-hydroxybutyl)heptanamide?
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(4-hydroxybutyl)heptanamide has a molecular weight of 435.18 g/mol, XLogP of 3.61, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(4-hydroxybutyl)heptanamide is sourced from PubChem (CID 543811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).