2-((18F)fluoromethylamino)ethanol

C3H8FNO — CID 25217744

IUPAC2-((18F)fluoromethylamino)ethanol
SMILESOCCNC[18F]
InChIInChI=1S/C3H8FNO/c4-3-5-1-2-6/h5-6H,1-3H2/i4-1
InChIKeyOQWVOGRBKIQFTJ-NUTRPMROSA-N
MW92.10 g/mol
LogP-0.50
Rot. Bonds3

About 2-((18F)fluoromethylamino)ethanol

2-((18F)fluoromethylamino)ethanol (PubChem CID 25217744) has the molecular formula C3H8FNO and a molecular weight of 92.10 g/mol. Its IUPAC name is 2-((18F)fluoromethylamino)ethanol.

Molecular Properties

Compound Name2-((18F)fluoromethylamino)ethanol
PubChem CID25217744
Molecular FormulaC3H8FNO
Molecular Weight92.10 g/mol
Exact Mass92.06
IUPAC Name2-((18F)fluoromethylamino)ethanol
SMILESOCCNC[18F]
InChIInChI=1S/C3H8FNO/c4-3-5-1-2-6/h5-6H,1-3H2/i4-1
InChIKeyOQWVOGRBKIQFTJ-NUTRPMROSA-N
XLogP-0.50
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.10
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-((18F)fluoromethylamino)ethanol?
The IUPAC name of 2-((18F)fluoromethylamino)ethanol (CID 25217744) is 2-((18F)fluoromethylamino)ethanol.
What is the SMILES notation for 2-((18F)fluoromethylamino)ethanol?
The canonical SMILES for 2-((18F)fluoromethylamino)ethanol is OCCNC[18F].
What is the InChIKey of 2-((18F)fluoromethylamino)ethanol?
The InChIKey is OQWVOGRBKIQFTJ-NUTRPMROSA-N. The full InChI is InChI=1S/C3H8FNO/c4-3-5-1-2-6/h5-6H,1-3H2/i4-1.
What are the key properties of 2-((18F)fluoromethylamino)ethanol?
2-((18F)fluoromethylamino)ethanol has a molecular weight of 92.10 g/mol, XLogP of -0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-((18F)fluoromethylamino)ethanol is sourced from PubChem (CID 25217744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).