2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctanamide

HCID 67919

Notes Reactions

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Basic information

CAS: 423-54-1
Standard SMILES: NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIKey: UGMUDSKJLAUMTC-UHFFFAOYSA-N
Molecular formula: C8H2F15NO
Average molar mass: 413.08 g/mol
Monoisotopic mass: 412.9896861

Names & identifiers

Preferred name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctanamide
IUPAC: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide
English name: Perfluorooctanamide
Molecular formula: C8H2F15NO
Molecular weight: 413.08

Names & synonyms

Perfluorooctanamide423-54-12,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamideDTXSID601951232MC3KA5CESRefChem:1058957DTXCID70117614207-027-9MFCD00039774Octanamide,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-C8H2F15NOperfluorooctaneamide

Show more names

Perfluorooctanamide97%Perfluorooctanamide 97%Pentadecafluorooctanamide2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorocaprylamide2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctanamide, PerfluorocaprylamideN-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-purinyl]butanamide

EINECS 207-027-9perfluorooctanoic acid amideC7F15CONH2CHEMBL367836SCHEMBL4523545AKOS015852818BS-25014DB-050899

Database identifiers

CAS: 423-54-1
PubChem CID: 67919
DTXSID: DTXSID60195123
ChEMBL: CHEMBL367836
UNII: 2MC3KA5CES
EC Number: 207-027-9
Nikkaji: J196.096B

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 43.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 16
Rotatable bonds: 6
Heavy atoms: 25
Formal charge: 0
Complexity: 532

Physicochemical properties

Melting point: 137 · 137-139°C
Boiling point: 190.7 · 190.7±40.0 °C(Predicted)
Density: 1.696 · 1.696±0.06 g/cm3(Predicted)
pka: 12.95 · 12.95±0.50(Predicted)
CAS DataBase Reference: 423 · 423-54-1(CAS DataBase Reference)
FDA UNII: 2 MC3KA5CES · 2MC3KA5CES
EPA Substance Registry System: Perfluorooctanamide (423-54-1)
Symbol(GHS): 7 · GHS07
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P302+P352-P305+P351+P338-P321-P405-P501a
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
Hazard Note: Irritant