4-fluoro-2-[(hydroxyamino)methyl]benzaldehyde

C8H8FNO2 — CID 117276677

IUPAC4-fluoro-2-[(hydroxyamino)methyl]benzaldehyde
SMILESO=Cc1ccc(F)cc1CNO
InChIInChI=1S/C8H8FNO2/c9-8-2-1-6(5-11)7(3-8)4-10-12/h1-3,5,10,12H,4H2
InChIKeyWBGXLPKQEXTCFW-UHFFFAOYSA-N
MW169.16 g/mol
LogP1.12
Rot. Bonds3

About 4-fluoro-2-[(hydroxyamino)methyl]benzaldehyde

4-fluoro-2-[(hydroxyamino)methyl]benzaldehyde (PubChem CID 117276677) has the molecular formula C8H8FNO2 and a molecular weight of 169.16 g/mol. Its IUPAC name is 4-fluoro-2-[(hydroxyamino)methyl]benzaldehyde.

Molecular Properties

Compound Name4-fluoro-2-[(hydroxyamino)methyl]benzaldehyde
PubChem CID117276677
Molecular FormulaC8H8FNO2
Molecular Weight169.16 g/mol
Exact Mass169.05
IUPAC Name4-fluoro-2-[(hydroxyamino)methyl]benzaldehyde
SMILESO=Cc1ccc(F)cc1CNO
InChIInChI=1S/C8H8FNO2/c9-8-2-1-6(5-11)7(3-8)4-10-12/h1-3,5,10,12H,4H2
InChIKeyWBGXLPKQEXTCFW-UHFFFAOYSA-N
XLogP1.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.16
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-4-fluorobenzaldehyde
CID 98041715
N-[(2-ethyl-5-fluorophenyl)methyl]hydroxylamine
CID 84765578
4-hydroxy-2-[(hydroxyamino)methyl]-5-methoxybenzaldehyde
CID 117286677
2-(2-amino-1-hydroxyethyl)-4-fluorobenzaldehyde
CID 117279374
2-(cyclopropylmethoxymethyl)-4-fluorobenzaldehyde
CID 91658184
4-fluoro-2-methylbenzaldehyde
CID 2783217
5-fluoro-2-(3-hydroxyprop-1-enyl)benzaldehyde
CID 169453203
4-fluoro-2-methoxybenzaldehyde
CID 2774537
4-(18F)fluoro-2-methoxy(18F)benzaldehyde
CID 14816736
2-(3-amino-1,2-dihydroxypropyl)-4-fluorobenzaldehyde
CID 170827927
2-[2-[butan-2-yl(methyl)amino]ethyl]-4-fluorobenzaldehyde;difluoromethanol
CID 172605306
4-[(Z)-1-amino-2-(4-fluoroanilino)prop-1-enyl]-2-(ethylaminomethyl)benzaldehyde
CID 143100015

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(hydroxyamino)methyl]benzaldehyde?
The IUPAC name of 4-fluoro-2-[(hydroxyamino)methyl]benzaldehyde (CID 117276677) is 4-fluoro-2-[(hydroxyamino)methyl]benzaldehyde.
What is the SMILES notation for 4-fluoro-2-[(hydroxyamino)methyl]benzaldehyde?
The canonical SMILES for 4-fluoro-2-[(hydroxyamino)methyl]benzaldehyde is O=Cc1ccc(F)cc1CNO.
What is the InChIKey of 4-fluoro-2-[(hydroxyamino)methyl]benzaldehyde?
The InChIKey is WBGXLPKQEXTCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO2/c9-8-2-1-6(5-11)7(3-8)4-10-12/h1-3,5,10,12H,4H2.
What are the key properties of 4-fluoro-2-[(hydroxyamino)methyl]benzaldehyde?
4-fluoro-2-[(hydroxyamino)methyl]benzaldehyde has a molecular weight of 169.16 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(hydroxyamino)methyl]benzaldehyde is sourced from PubChem (CID 117276677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).