Molecular Identity
Perfluorononanoic acid
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoic acid
PubChem CID: 67821
Perfluorononanoic acid (PFNA) and its salts can cause male reproductive toxicity according to an independent committee of scientific and health experts.
2D Structure
Properties
C9HF17O2
Molecular Formula
464.08
Molecular Weight
g/mol
463.9705
Exact Mass
Da
5.6
XLogP
Above Lipinski threshold
37.3
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
19
H-Bond Acceptors
615
Complexity
SMILES
Canonical SMILES
SMILES: C(=O)(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OIsomeric SMILES
SMILES: C(=O)(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OSynonyms(20)
Perfluorononanoic acid375-95-1heptadecafluorononanoic acidPerfluoro-n-nonanoic acid2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluorononanoic acidHeptadecafluoropelargonic AcidPerfluorononan-1-oic acidPerfluornonansaeureHeptadecafluornonansaeureHeptadekafluornonansaeureDTXSID80318635830Z6S63MPerfluorononanoic acid (PFNA)CHEBI:38397Nonanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Perfluorononanoic acid
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