2-[2-fluoro-6-(hydroxyamino)phenyl]acetaldehyde

C8H8FNO2 — CID 142578229

IUPAC2-[2-fluoro-6-(hydroxyamino)phenyl]acetaldehyde
SMILESO=CCc1c(F)cccc1NO
InChIInChI=1S/C8H8FNO2/c9-7-2-1-3-8(10-12)6(7)4-5-11/h1-3,5,10,12H,4H2
InChIKeyBVOOYRQORIXKPV-UHFFFAOYSA-N
MW169.16 g/mol
LogP1.37
Rot. Bonds3

About 2-[2-fluoro-6-(hydroxyamino)phenyl]acetaldehyde

2-[2-fluoro-6-(hydroxyamino)phenyl]acetaldehyde (PubChem CID 142578229) has the molecular formula C8H8FNO2 and a molecular weight of 169.16 g/mol. Its IUPAC name is 2-[2-fluoro-6-(hydroxyamino)phenyl]acetaldehyde.

Molecular Properties

Compound Name2-[2-fluoro-6-(hydroxyamino)phenyl]acetaldehyde
PubChem CID142578229
Molecular FormulaC8H8FNO2
Molecular Weight169.16 g/mol
Exact Mass169.05
IUPAC Name2-[2-fluoro-6-(hydroxyamino)phenyl]acetaldehyde
SMILESO=CCc1c(F)cccc1NO
InChIInChI=1S/C8H8FNO2/c9-7-2-1-3-8(10-12)6(7)4-5-11/h1-3,5,10,12H,4H2
InChIKeyBVOOYRQORIXKPV-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
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-(2,3-difluorophenyl)acetaldehyde
CID 22667341
3-(2,6-difluorophenyl)-2-(2-oxoethylamino)propanoic acid
CID 46835398
N-[2-[(2,6-difluorophenyl)methylamino]ethyl]acetamide
CID 28684466
2-(3-bromo-6-fluoro-2-hydroxyphenyl)acetaldehyde
CID 83895378
azane;2-(2,3-difluorophenyl)acetaldehyde
CID 87319362
2-(2,3-difluoro-6-hydroxyphenyl)acetaldehyde
CID 83874123
2-(3-chloro-2,6-difluorophenyl)acetaldehyde
CID 55274754
2-[2-fluoro-6-(methylamino)phenyl]acetic acid
CID 82280939
6-(2,6-difluorophenyl)hexanal
CID 87065996
2-[(2,6-difluorophenyl)methyl]-1,3-difluorobenzene
CID 15013079
1-(2,6-difluorophenyl)-4-methylpent-3-en-2-one
CID 115780770
N-amino-N-methylformamide;2-(bromomethyl)-3-fluoro-N-methylaniline
CID 144659656

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-6-(hydroxyamino)phenyl]acetaldehyde?
The IUPAC name of 2-[2-fluoro-6-(hydroxyamino)phenyl]acetaldehyde (CID 142578229) is 2-[2-fluoro-6-(hydroxyamino)phenyl]acetaldehyde.
What is the SMILES notation for 2-[2-fluoro-6-(hydroxyamino)phenyl]acetaldehyde?
The canonical SMILES for 2-[2-fluoro-6-(hydroxyamino)phenyl]acetaldehyde is O=CCc1c(F)cccc1NO.
What is the InChIKey of 2-[2-fluoro-6-(hydroxyamino)phenyl]acetaldehyde?
The InChIKey is BVOOYRQORIXKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO2/c9-7-2-1-3-8(10-12)6(7)4-5-11/h1-3,5,10,12H,4H2.
What are the key properties of 2-[2-fluoro-6-(hydroxyamino)phenyl]acetaldehyde?
2-[2-fluoro-6-(hydroxyamino)phenyl]acetaldehyde has a molecular weight of 169.16 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-6-(hydroxyamino)phenyl]acetaldehyde is sourced from PubChem (CID 142578229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).