benzyl 2-(18F)fluoro-3-hydroxypropanoate

C10H11FO3 — CID 153425046

IUPACbenzyl 2-(18F)fluoro-3-hydroxypropanoate
SMILESO=C(OCc1ccccc1)C([18F])CO
InChIInChI=1S/C10H11FO3/c11-9(6-12)10(13)14-7-8-4-2-1-3-5-8/h1-5,9,12H,6-7H2/i11-1
InChIKeyWOCFUHTXQVGNAB-KXMUYVCJSA-N
MW197.20 g/mol
LogP1.06
Rot. Bonds4

About benzyl 2-(18F)fluoro-3-hydroxypropanoate

benzyl 2-(18F)fluoro-3-hydroxypropanoate (PubChem CID 153425046) has the molecular formula C10H11FO3 and a molecular weight of 197.20 g/mol. Its IUPAC name is benzyl 2-(18F)fluoro-3-hydroxypropanoate.

Molecular Properties

Compound Namebenzyl 2-(18F)fluoro-3-hydroxypropanoate
PubChem CID153425046
Molecular FormulaC10H11FO3
Molecular Weight197.20 g/mol
Exact Mass197.07
IUPAC Namebenzyl 2-(18F)fluoro-3-hydroxypropanoate
SMILESO=C(OCc1ccccc1)C([18F])CO
InChIInChI=1S/C10H11FO3/c11-9(6-12)10(13)14-7-8-4-2-1-3-5-8/h1-5,9,12H,6-7H2/i11-1
InChIKeyWOCFUHTXQVGNAB-KXMUYVCJSA-N
XLogP1.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (2R)-3-hydroxy-2-methylpropanoate
CID 102381310
dibenzyl 2-(2,2-difluoroethyl)propanedioate
CID 177361519
CID 174906307
CID 174906307
2-amino-3-(hydroxymethyl)-4-oxo-4-phenylmethoxybutanoic acid
CID 174396702
(3-hydroxy-1-oxo-1-phenylmethoxypropan-2-yl)-oxophosphanium
CID 173167029
tetrabenzyl propane-1,1,3,3-tetracarboxylate
CID 139256040
benzyl 2-amino-2-hydroxyacetate
CID 123342440
3-fluoro-4-hydroxy-1-phenylbutan-2-one
CID 141355894
benzyl (2S)-2-aminopropanoate
CID 726858
benzyl (2R)-2,3-diamino-3-phenylpropanoate
CID 18653737
benzyl 3-hydroxy-2-(2-hydroxyanilino)propanoate
CID 70364391
benzyl 3-fluoro-2,2-dimethylbutanoate
CID 135382582

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(18F)fluoro-3-hydroxypropanoate?
The IUPAC name of benzyl 2-(18F)fluoro-3-hydroxypropanoate (CID 153425046) is benzyl 2-(18F)fluoro-3-hydroxypropanoate.
What is the SMILES notation for benzyl 2-(18F)fluoro-3-hydroxypropanoate?
The canonical SMILES for benzyl 2-(18F)fluoro-3-hydroxypropanoate is O=C(OCc1ccccc1)C([18F])CO.
What is the InChIKey of benzyl 2-(18F)fluoro-3-hydroxypropanoate?
The InChIKey is WOCFUHTXQVGNAB-KXMUYVCJSA-N. The full InChI is InChI=1S/C10H11FO3/c11-9(6-12)10(13)14-7-8-4-2-1-3-5-8/h1-5,9,12H,6-7H2/i11-1.
What are the key properties of benzyl 2-(18F)fluoro-3-hydroxypropanoate?
benzyl 2-(18F)fluoro-3-hydroxypropanoate has a molecular weight of 197.20 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(18F)fluoro-3-hydroxypropanoate is sourced from PubChem (CID 153425046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).