2-acetyl-3-(difluoromethoxy)benzaldehyde

C10H8F2O3 — CID 170996257

IUPAC2-acetyl-3-(difluoromethoxy)benzaldehyde
SMILESCC(=O)c1c(C=O)cccc1OC(F)F
InChIInChI=1S/C10H8F2O3/c1-6(14)9-7(5-13)3-2-4-8(9)15-10(11)12/h2-5,10H,1H3
InChIKeyJZIGNWLSIPMTAH-UHFFFAOYSA-N
MW214.17 g/mol
LogP2.30
Rot. Bonds4

About 2-acetyl-3-(difluoromethoxy)benzaldehyde

2-acetyl-3-(difluoromethoxy)benzaldehyde (PubChem CID 170996257) has the molecular formula C10H8F2O3 and a molecular weight of 214.17 g/mol. Its IUPAC name is 2-acetyl-3-(difluoromethoxy)benzaldehyde.

Molecular Properties

Compound Name2-acetyl-3-(difluoromethoxy)benzaldehyde
PubChem CID170996257
Molecular FormulaC10H8F2O3
Molecular Weight214.17 g/mol
Exact Mass214.04
IUPAC Name2-acetyl-3-(difluoromethoxy)benzaldehyde
SMILESCC(=O)c1c(C=O)cccc1OC(F)F
InChIInChI=1S/C10H8F2O3/c1-6(14)9-7(5-13)3-2-4-8(9)15-10(11)12/h2-5,10H,1H3
InChIKeyJZIGNWLSIPMTAH-UHFFFAOYSA-N
XLogP2.30
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(difluoromethoxy)phenyl]-2-methylprop-2-enal
CID 79330784
1-[3-(difluoromethoxy)-2-methylphenyl]ethanone
CID 70867743
1-[2-bromo-3-chloro-6-(difluoromethoxy)phenyl]ethanone
CID 131586320
2-(1-chloro-2-oxopropyl)-6-(difluoromethoxy)benzaldehyde
CID 170837646
4-acetyl-5-(difluoromethoxy)-2-methylbenzaldehyde
CID 171032064
methyl 2-formyl-6-methoxybenzoate
CID 12730360
methyl 2-(difluoromethoxy)-6-fluorobenzoate
CID 59487507
methyl 2-cyano-6-(difluoromethoxy)-3-formylbenzoate
CID 134649553
copper;bis(2-hydroxy-3-methoxybenzaldehyde)
CID 50897387
2-(3-oxobutan-2-yloxy)benzaldehyde
CID 23468859
1-[3-amino-6-(difluoromethoxy)-2-iodophenyl]ethanone
CID 131281136
1-[2-bromo-6-(difluoromethoxy)-3-(difluoromethyl)phenyl]ethanone
CID 171032948

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-3-(difluoromethoxy)benzaldehyde?
The IUPAC name of 2-acetyl-3-(difluoromethoxy)benzaldehyde (CID 170996257) is 2-acetyl-3-(difluoromethoxy)benzaldehyde.
What is the SMILES notation for 2-acetyl-3-(difluoromethoxy)benzaldehyde?
The canonical SMILES for 2-acetyl-3-(difluoromethoxy)benzaldehyde is CC(=O)c1c(C=O)cccc1OC(F)F.
What is the InChIKey of 2-acetyl-3-(difluoromethoxy)benzaldehyde?
The InChIKey is JZIGNWLSIPMTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2O3/c1-6(14)9-7(5-13)3-2-4-8(9)15-10(11)12/h2-5,10H,1H3.
What are the key properties of 2-acetyl-3-(difluoromethoxy)benzaldehyde?
2-acetyl-3-(difluoromethoxy)benzaldehyde has a molecular weight of 214.17 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-3-(difluoromethoxy)benzaldehyde is sourced from PubChem (CID 170996257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).