5-fluoro-2-[1-hydroxy-2-(methylamino)ethyl]benzaldehyde

C10H12FNO2 — CID 117286827

IUPAC5-fluoro-2-[1-hydroxy-2-(methylamino)ethyl]benzaldehyde
SMILESCNCC(O)c1ccc(F)cc1C=O
InChIInChI=1S/C10H12FNO2/c1-12-5-10(14)9-3-2-8(11)4-7(9)6-13/h2-4,6,10,12,14H,5H2,1H3
InChIKeyHCSNLNJCFJJVGT-UHFFFAOYSA-N
MW197.21 g/mol
LogP0.89
Rot. Bonds4

About 5-fluoro-2-[1-hydroxy-2-(methylamino)ethyl]benzaldehyde

5-fluoro-2-[1-hydroxy-2-(methylamino)ethyl]benzaldehyde (PubChem CID 117286827) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 5-fluoro-2-[1-hydroxy-2-(methylamino)ethyl]benzaldehyde.

Molecular Properties

Compound Name5-fluoro-2-[1-hydroxy-2-(methylamino)ethyl]benzaldehyde
PubChem CID117286827
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name5-fluoro-2-[1-hydroxy-2-(methylamino)ethyl]benzaldehyde
SMILESCNCC(O)c1ccc(F)cc1C=O
InChIInChI=1S/C10H12FNO2/c1-12-5-10(14)9-3-2-8(11)4-7(9)6-13/h2-4,6,10,12,14H,5H2,1H3
InChIKeyHCSNLNJCFJJVGT-UHFFFAOYSA-N
XLogP0.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-hydroxy-2-(methylamino)ethyl]benzaldehyde?
The IUPAC name of 5-fluoro-2-[1-hydroxy-2-(methylamino)ethyl]benzaldehyde (CID 117286827) is 5-fluoro-2-[1-hydroxy-2-(methylamino)ethyl]benzaldehyde.
What is the SMILES notation for 5-fluoro-2-[1-hydroxy-2-(methylamino)ethyl]benzaldehyde?
The canonical SMILES for 5-fluoro-2-[1-hydroxy-2-(methylamino)ethyl]benzaldehyde is CNCC(O)c1ccc(F)cc1C=O.
What is the InChIKey of 5-fluoro-2-[1-hydroxy-2-(methylamino)ethyl]benzaldehyde?
The InChIKey is HCSNLNJCFJJVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-12-5-10(14)9-3-2-8(11)4-7(9)6-13/h2-4,6,10,12,14H,5H2,1H3.
What are the key properties of 5-fluoro-2-[1-hydroxy-2-(methylamino)ethyl]benzaldehyde?
5-fluoro-2-[1-hydroxy-2-(methylamino)ethyl]benzaldehyde has a molecular weight of 197.21 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-hydroxy-2-(methylamino)ethyl]benzaldehyde is sourced from PubChem (CID 117286827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).