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Fluoroacetic acid F-18

HCID 450656
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Basic informationOverviewNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
7574-44-9
Standard SMILES
O=C(O)C[18F]
InChIKey
QEWYKACRFQMRMB-KTXUZGJCSA-N
Molecular formula
C2H3FO2
Average molar mass
77.04 g/mol
Monoisotopic mass
77.014242

Overview

Fluoroacetic acid F-18 is under investigation in clinical trial NCT01320787 (18-F-Fluoroacetate as PET Imaging Agent).

Names & identifiers

Preferred name
Fluoroacetic acid F-18
IUPAC
2-(18F)fluoroacetic acid

Names & synonyms

Fluoroacetic acid F-1818F-Fluoroacetate74Q3U8O7897574-44-9DTXSID20226624RefChem:10854382-(1?F)fluoroacetic acidDTXCID50149115UNII-74Q3U8O7892-[18F]Fluoroacetate(~18~F)Fluoroacetic acid2-[18F]Fluoroacetic acid
Show more names
SCHEMBL13651728MOLI001184MOLI001937ACETIC ACID, FLUORO-18F-DB15202Q27266301

Database identifiers

CAS
7574-44-9
PubChem CID
450656
DTXSID
DTXSID20226624
UNII
74Q3U8O789
Nikkaji
J3.009.459J

Properties

Computed structural properties

XLogP
0.2
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
5
Formal charge
0
Complexity
42.9

Related reactions

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Compound notes

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