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

C9H10FNO — CID 87214166

IUPAC2-(5-amino-2-fluoro-4-methylphenyl)acetaldehyde
SMILESCc1cc(F)c(CC=O)cc1N
InChIInChI=1S/C9H10FNO/c1-6-4-8(10)7(2-3-12)5-9(6)11/h3-5H,2,11H2,1H3
InChIKeyIVTLDMFCTVNTHG-UHFFFAOYSA-N
MW167.18 g/mol
LogP1.46
Rot. Bonds2

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

2-(5-amino-2-fluoro-4-methylphenyl)acetaldehyde (PubChem CID 87214166) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 2-(5-amino-2-fluoro-4-methylphenyl)acetaldehyde.

Molecular Properties

Compound Name2-(5-amino-2-fluoro-4-methylphenyl)acetaldehyde
PubChem CID87214166
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name2-(5-amino-2-fluoro-4-methylphenyl)acetaldehyde
SMILESCc1cc(F)c(CC=O)cc1N
InChIInChI=1S/C9H10FNO/c1-6-4-8(10)7(2-3-12)5-9(6)11/h3-5H,2,11H2,1H3
InChIKeyIVTLDMFCTVNTHG-UHFFFAOYSA-N
XLogP1.46
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(5-amino-2-fluoro-4-hydroxyphenyl)acetaldehyde
CID 90219665
2-(5-bromo-2,4-difluorophenyl)acetaldehyde
CID 87241512
2-(4-amino-2-fluoro-5-methylphenyl)acetic acid
CID 91755180
2-(4-chloro-2,5-difluorophenyl)acetaldehyde
CID 88923166
4-fluoro-6-methylbenzene-1,3-diamine;hydrate
CID 141142247
4-fluoro-2-methyl-5-(pyridin-4-ylmethyl)aniline
CID 107593692
2-(4-bromo-2-fluorophenyl)acetaldehyde
CID 28875384
4-amino-2-ethyl-5-methylphenol
CID 105429592
2-(5-fluoro-2-hydroxy-3-methylphenyl)acetaldehyde
CID 83873729
2-(5-ethyl-2-fluoro-3-methylphenyl)acetaldehyde
CID 89075888
4-fluoro-6-methylbenzene-1,3-diamine;sulfuric acid;hydrate
CID 22610610
2-(2-amino-4-chlorophenyl)acetaldehyde
CID 87129897

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-fluoro-4-methylphenyl)acetaldehyde?
The IUPAC name of 2-(5-amino-2-fluoro-4-methylphenyl)acetaldehyde (CID 87214166) is 2-(5-amino-2-fluoro-4-methylphenyl)acetaldehyde.
What is the SMILES notation for 2-(5-amino-2-fluoro-4-methylphenyl)acetaldehyde?
The canonical SMILES for 2-(5-amino-2-fluoro-4-methylphenyl)acetaldehyde is Cc1cc(F)c(CC=O)cc1N.
What is the InChIKey of 2-(5-amino-2-fluoro-4-methylphenyl)acetaldehyde?
The InChIKey is IVTLDMFCTVNTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c1-6-4-8(10)7(2-3-12)5-9(6)11/h3-5H,2,11H2,1H3.
What are the key properties of 2-(5-amino-2-fluoro-4-methylphenyl)acetaldehyde?
2-(5-amino-2-fluoro-4-methylphenyl)acetaldehyde has a molecular weight of 167.18 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-fluoro-4-methylphenyl)acetaldehyde is sourced from PubChem (CID 87214166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).