2-(5-amino-2-fluoro-4-hydroxyphenyl)acetaldehyde

C8H8FNO2 — CID 90219665

IUPAC2-(5-amino-2-fluoro-4-hydroxyphenyl)acetaldehyde
SMILESNc1cc(CC=O)c(F)cc1O
InChIInChI=1S/C8H8FNO2/c9-6-4-8(12)7(10)3-5(6)1-2-11/h2-4,12H,1,10H2
InChIKeyUVRXDANIMOIFQF-UHFFFAOYSA-N
MW169.16 g/mol
LogP0.85
Rot. Bonds2

About 2-(5-amino-2-fluoro-4-hydroxyphenyl)acetaldehyde

2-(5-amino-2-fluoro-4-hydroxyphenyl)acetaldehyde (PubChem CID 90219665) has the molecular formula C8H8FNO2 and a molecular weight of 169.16 g/mol. Its IUPAC name is 2-(5-amino-2-fluoro-4-hydroxyphenyl)acetaldehyde.

Molecular Properties

Compound Name2-(5-amino-2-fluoro-4-hydroxyphenyl)acetaldehyde
PubChem CID90219665
Molecular FormulaC8H8FNO2
Molecular Weight169.16 g/mol
Exact Mass169.05
IUPAC Name2-(5-amino-2-fluoro-4-hydroxyphenyl)acetaldehyde
SMILESNc1cc(CC=O)c(F)cc1O
InChIInChI=1S/C8H8FNO2/c9-6-4-8(12)7(10)3-5(6)1-2-11/h2-4,12H,1,10H2
InChIKeyUVRXDANIMOIFQF-UHFFFAOYSA-N
XLogP0.85
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.16
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-amino-2-fluoro-4-methylphenyl)acetaldehyde
CID 87214166
2-[2,5-dihydroxy-4-(2-oxoethyl)phenyl]acetaldehyde
CID 166062863
2-(5-bromo-2,4-difluorophenyl)acetaldehyde
CID 87241512
2-(4-chloro-2,5-difluorophenyl)acetaldehyde
CID 88923166
2-(5-fluoro-2-hydroxyphenyl)acetaldehyde
CID 87254004
4-amino-6-(aminomethyl)benzene-1,3-diol
CID 154288362
5-amino-2-fluoro-4-hydroxybenzoic acid
CID 84653970
2-(2-amino-4-chlorophenyl)acetaldehyde
CID 87129897
2-(3-bromo-4,5-difluoro-2-hydroxyphenyl)acetaldehyde
CID 83900436
2-(4-bromo-2-fluorophenyl)acetaldehyde
CID 28875384
2-(3-chloro-4-fluoro-2-hydroxyphenyl)acetaldehyde
CID 87309009
2-amino-5-(2-aminoethyl)benzene-1,4-diol;dihydrobromide
CID 86775405

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-fluoro-4-hydroxyphenyl)acetaldehyde?
The IUPAC name of 2-(5-amino-2-fluoro-4-hydroxyphenyl)acetaldehyde (CID 90219665) is 2-(5-amino-2-fluoro-4-hydroxyphenyl)acetaldehyde.
What is the SMILES notation for 2-(5-amino-2-fluoro-4-hydroxyphenyl)acetaldehyde?
The canonical SMILES for 2-(5-amino-2-fluoro-4-hydroxyphenyl)acetaldehyde is Nc1cc(CC=O)c(F)cc1O.
What is the InChIKey of 2-(5-amino-2-fluoro-4-hydroxyphenyl)acetaldehyde?
The InChIKey is UVRXDANIMOIFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO2/c9-6-4-8(12)7(10)3-5(6)1-2-11/h2-4,12H,1,10H2.
What are the key properties of 2-(5-amino-2-fluoro-4-hydroxyphenyl)acetaldehyde?
2-(5-amino-2-fluoro-4-hydroxyphenyl)acetaldehyde has a molecular weight of 169.16 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-fluoro-4-hydroxyphenyl)acetaldehyde is sourced from PubChem (CID 90219665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).