2-(2-amino-1-hydroxyethyl)-4-fluorobenzaldehyde

C9H10FNO2 — CID 117279374

IUPAC2-(2-amino-1-hydroxyethyl)-4-fluorobenzaldehyde
SMILESNCC(O)c1cc(F)ccc1C=O
InChIInChI=1S/C9H10FNO2/c10-7-2-1-6(5-12)8(3-7)9(13)4-11/h1-3,5,9,13H,4,11H2
InChIKeyISEBOQQZTBJGAB-UHFFFAOYSA-N
MW183.18 g/mol
LogP0.63
Rot. Bonds3

About 2-(2-amino-1-hydroxyethyl)-4-fluorobenzaldehyde

2-(2-amino-1-hydroxyethyl)-4-fluorobenzaldehyde (PubChem CID 117279374) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is 2-(2-amino-1-hydroxyethyl)-4-fluorobenzaldehyde.

Molecular Properties

Compound Name2-(2-amino-1-hydroxyethyl)-4-fluorobenzaldehyde
PubChem CID117279374
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name2-(2-amino-1-hydroxyethyl)-4-fluorobenzaldehyde
SMILESNCC(O)c1cc(F)ccc1C=O
InChIInChI=1S/C9H10FNO2/c10-7-2-1-6(5-12)8(3-7)9(13)4-11/h1-3,5,9,13H,4,11H2
InChIKeyISEBOQQZTBJGAB-UHFFFAOYSA-N
XLogP0.63
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-amino-1,2-dihydroxypropyl)-4-fluorobenzaldehyde
CID 170827927
2-amino-1-(2-chloro-5-fluorophenyl)ethanol
CID 82404297
2-(4-bromo-1,2-dihydroxybutyl)-4-fluorobenzaldehyde
CID 171891895
2-amino-1-(2-bromo-5-fluorophenyl)ethanol
CID 83714678
2-(2-amino-1-hydroxyethyl)-5-hydroxybenzaldehyde
CID 82408568
N-[3-(5-fluoro-2-formylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170829944
4-fluoro-2-methylbenzaldehyde
CID 2783217
(1R)-2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanol
CID 129381916
4-fluoro-2-[(hydroxyamino)methyl]benzaldehyde
CID 117276677
3-amino-1-(2,5-difluorophenyl)propan-1-ol
CID 64989517
(1R)-3-amino-1-(2,5-difluorophenyl)propan-1-ol
CID 93182256
5-fluoro-2-(2-hydroxypropyl)benzaldehyde
CID 117279046

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1-hydroxyethyl)-4-fluorobenzaldehyde?
The IUPAC name of 2-(2-amino-1-hydroxyethyl)-4-fluorobenzaldehyde (CID 117279374) is 2-(2-amino-1-hydroxyethyl)-4-fluorobenzaldehyde.
What is the SMILES notation for 2-(2-amino-1-hydroxyethyl)-4-fluorobenzaldehyde?
The canonical SMILES for 2-(2-amino-1-hydroxyethyl)-4-fluorobenzaldehyde is NCC(O)c1cc(F)ccc1C=O.
What is the InChIKey of 2-(2-amino-1-hydroxyethyl)-4-fluorobenzaldehyde?
The InChIKey is ISEBOQQZTBJGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c10-7-2-1-6(5-12)8(3-7)9(13)4-11/h1-3,5,9,13H,4,11H2.
What are the key properties of 2-(2-amino-1-hydroxyethyl)-4-fluorobenzaldehyde?
2-(2-amino-1-hydroxyethyl)-4-fluorobenzaldehyde has a molecular weight of 183.18 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1-hydroxyethyl)-4-fluorobenzaldehyde is sourced from PubChem (CID 117279374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).