(2S)-1-(18F)fluoro-3-methoxypropan-2-ol

C4H9FO2 — CID 122413426

IUPAC(2S)-1-(18F)fluoro-3-methoxypropan-2-ol
SMILESCOC[C@H](O)C[18F]
InChIInChI=1S/C4H9FO2/c1-7-3-4(6)2-5/h4,6H,2-3H2,1H3/t4-/m1/s1/i5-1
InChIKeyNTOZUEOZUOBUTO-WPTLHOCQSA-N
MW107.11 g/mol
LogP-0.04
Rot. Bonds3

About (2S)-1-(18F)fluoro-3-methoxypropan-2-ol

(2S)-1-(18F)fluoro-3-methoxypropan-2-ol (PubChem CID 122413426) has the molecular formula C4H9FO2 and a molecular weight of 107.11 g/mol. Its IUPAC name is (2S)-1-(18F)fluoro-3-methoxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-(18F)fluoro-3-methoxypropan-2-ol
PubChem CID122413426
Molecular FormulaC4H9FO2
Molecular Weight107.11 g/mol
Exact Mass107.06
IUPAC Name(2S)-1-(18F)fluoro-3-methoxypropan-2-ol
SMILESCOC[C@H](O)C[18F]
InChIInChI=1S/C4H9FO2/c1-7-3-4(6)2-5/h4,6H,2-3H2,1H3/t4-/m1/s1/i5-1
InChIKeyNTOZUEOZUOBUTO-WPTLHOCQSA-N
XLogP-0.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.11
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(18F)fluoro-3-methoxypropan-2-ol?
The IUPAC name of (2S)-1-(18F)fluoro-3-methoxypropan-2-ol (CID 122413426) is (2S)-1-(18F)fluoro-3-methoxypropan-2-ol.
What is the SMILES notation for (2S)-1-(18F)fluoro-3-methoxypropan-2-ol?
The canonical SMILES for (2S)-1-(18F)fluoro-3-methoxypropan-2-ol is COC[C@H](O)C[18F].
What is the InChIKey of (2S)-1-(18F)fluoro-3-methoxypropan-2-ol?
The InChIKey is NTOZUEOZUOBUTO-WPTLHOCQSA-N. The full InChI is InChI=1S/C4H9FO2/c1-7-3-4(6)2-5/h4,6H,2-3H2,1H3/t4-/m1/s1/i5-1.
What are the key properties of (2S)-1-(18F)fluoro-3-methoxypropan-2-ol?
(2S)-1-(18F)fluoro-3-methoxypropan-2-ol has a molecular weight of 107.11 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(18F)fluoro-3-methoxypropan-2-ol is sourced from PubChem (CID 122413426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).