2-acetyl-4-(difluoromethyl)-6-hydroxybenzaldehyde

C10H8F2O3 — CID 171032574

IUPAC2-acetyl-4-(difluoromethyl)-6-hydroxybenzaldehyde
SMILESCC(=O)c1cc(C(F)F)cc(O)c1C=O
InChIInChI=1S/C10H8F2O3/c1-5(14)7-2-6(10(11)12)3-9(15)8(7)4-13/h2-4,10,15H,1H3
InChIKeyOWLZJHCMTOXLBD-UHFFFAOYSA-N
MW214.17 g/mol
LogP2.34
Rot. Bonds3

About 2-acetyl-4-(difluoromethyl)-6-hydroxybenzaldehyde

2-acetyl-4-(difluoromethyl)-6-hydroxybenzaldehyde (PubChem CID 171032574) has the molecular formula C10H8F2O3 and a molecular weight of 214.17 g/mol. Its IUPAC name is 2-acetyl-4-(difluoromethyl)-6-hydroxybenzaldehyde.

Molecular Properties

Compound Name2-acetyl-4-(difluoromethyl)-6-hydroxybenzaldehyde
PubChem CID171032574
Molecular FormulaC10H8F2O3
Molecular Weight214.17 g/mol
Exact Mass214.04
IUPAC Name2-acetyl-4-(difluoromethyl)-6-hydroxybenzaldehyde
SMILESCC(=O)c1cc(C(F)F)cc(O)c1C=O
InChIInChI=1S/C10H8F2O3/c1-5(14)7-2-6(10(11)12)3-9(15)8(7)4-13/h2-4,10,15H,1H3
InChIKeyOWLZJHCMTOXLBD-UHFFFAOYSA-N
XLogP2.34
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-acetyl-5-(difluoromethyl)-3-hydroxybenzaldehyde
CID 171032570
1-[3-bromo-5-(difluoromethyl)-2-hydroxyphenyl]ethanone
CID 131573369
1-[2-amino-4-(difluoromethyl)-6-hydroxyphenyl]ethanone
CID 170995809
ethyl 3-cyano-5-(difluoromethyl)-2-formylbenzoate
CID 134642303
1-[5-(difluoromethyl)-2-iodo-3-methoxyphenyl]ethanone
CID 131590701
6-acetyl-3-bromo-2-(difluoromethyl)benzaldehyde
CID 171001474
1-[3-bromo-5-(difluoromethyl)-2-methoxyphenyl]ethanone
CID 131569733
2-acetyl-4-fluoro-6-iodobenzaldehyde
CID 171008976
2-acetyl-6-amino-4-(difluoromethyl)benzonitrile
CID 170995908
1-[3-(difluoromethoxy)-5-(difluoromethyl)-2-iodophenyl]ethanone
CID 171031583
1-[7-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanone
CID 84691746
4-acetyl-2-(difluoromethyl)-5-methylbenzaldehyde
CID 171032596

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-4-(difluoromethyl)-6-hydroxybenzaldehyde?
The IUPAC name of 2-acetyl-4-(difluoromethyl)-6-hydroxybenzaldehyde (CID 171032574) is 2-acetyl-4-(difluoromethyl)-6-hydroxybenzaldehyde.
What is the SMILES notation for 2-acetyl-4-(difluoromethyl)-6-hydroxybenzaldehyde?
The canonical SMILES for 2-acetyl-4-(difluoromethyl)-6-hydroxybenzaldehyde is CC(=O)c1cc(C(F)F)cc(O)c1C=O.
What is the InChIKey of 2-acetyl-4-(difluoromethyl)-6-hydroxybenzaldehyde?
The InChIKey is OWLZJHCMTOXLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2O3/c1-5(14)7-2-6(10(11)12)3-9(15)8(7)4-13/h2-4,10,15H,1H3.
What are the key properties of 2-acetyl-4-(difluoromethyl)-6-hydroxybenzaldehyde?
2-acetyl-4-(difluoromethyl)-6-hydroxybenzaldehyde has a molecular weight of 214.17 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-4-(difluoromethyl)-6-hydroxybenzaldehyde is sourced from PubChem (CID 171032574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).