3-(difluoromethoxy)-2,5-dimethylbenzaldehyde

C10H10F2O2 — CID 131524669

IUPAC3-(difluoromethoxy)-2,5-dimethylbenzaldehyde
SMILESCc1cc(C=O)c(C)c(OC(F)F)c1
InChIInChI=1S/C10H10F2O2/c1-6-3-8(5-13)7(2)9(4-6)14-10(11)12/h3-5,10H,1-2H3
InChIKeyOIIYXDUMMDGUQY-UHFFFAOYSA-N
MW200.18 g/mol
LogP2.72
Rot. Bonds3

About 3-(difluoromethoxy)-2,5-dimethylbenzaldehyde

3-(difluoromethoxy)-2,5-dimethylbenzaldehyde (PubChem CID 131524669) has the molecular formula C10H10F2O2 and a molecular weight of 200.18 g/mol. Its IUPAC name is 3-(difluoromethoxy)-2,5-dimethylbenzaldehyde.

Molecular Properties

Compound Name3-(difluoromethoxy)-2,5-dimethylbenzaldehyde
PubChem CID131524669
Molecular FormulaC10H10F2O2
Molecular Weight200.18 g/mol
Exact Mass200.06
IUPAC Name3-(difluoromethoxy)-2,5-dimethylbenzaldehyde
SMILESCc1cc(C=O)c(C)c(OC(F)F)c1
InChIInChI=1S/C10H10F2O2/c1-6-3-8(5-13)7(2)9(4-6)14-10(11)12/h3-5,10H,1-2H3
InChIKeyOIIYXDUMMDGUQY-UHFFFAOYSA-N
XLogP2.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.18
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(difluoromethoxy)-2,5-dimethylbenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(difluoromethoxy)-2-fluoro-5-methylbenzaldehyde
CID 131567111
3-(difluoromethoxy)-5-methyl-2-nitrobenzaldehyde
CID 171032274
2-[3-(difluoromethoxy)-5-formyl-4-methylphenyl]-2-hydroxyacetic acid
CID 171026626
3-(difluoromethoxy)-5-methylpyridine-2-carbaldehyde
CID 174808071
4-chloro-5-(difluoromethoxy)-2-methylbenzaldehyde
CID 171004500
2,4-bis(difluoromethoxy)benzaldehyde
CID 4218025
4-acetyl-5-(difluoromethoxy)-2-methylbenzaldehyde
CID 171032064
3-fluoro-2,5-dimethylbenzaldehyde
CID 84763320
2-[4-(difluoromethoxy)-2-formyl-5-methylphenyl]acetic acid
CID 171032111
2-(difluoromethoxy)-5-fluoroterephthalaldehyde
CID 171026427
2-(difluoromethoxy)-5-fluoro-3-methylbenzaldehyde
CID 131378836
2-(difluoromethoxy)-5-ethoxyterephthalaldehyde
CID 171026041

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-2,5-dimethylbenzaldehyde?
The IUPAC name of 3-(difluoromethoxy)-2,5-dimethylbenzaldehyde (CID 131524669) is 3-(difluoromethoxy)-2,5-dimethylbenzaldehyde.
What is the SMILES notation for 3-(difluoromethoxy)-2,5-dimethylbenzaldehyde?
The canonical SMILES for 3-(difluoromethoxy)-2,5-dimethylbenzaldehyde is Cc1cc(C=O)c(C)c(OC(F)F)c1.
What is the InChIKey of 3-(difluoromethoxy)-2,5-dimethylbenzaldehyde?
The InChIKey is OIIYXDUMMDGUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O2/c1-6-3-8(5-13)7(2)9(4-6)14-10(11)12/h3-5,10H,1-2H3.
What are the key properties of 3-(difluoromethoxy)-2,5-dimethylbenzaldehyde?
3-(difluoromethoxy)-2,5-dimethylbenzaldehyde has a molecular weight of 200.18 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-2,5-dimethylbenzaldehyde is sourced from PubChem (CID 131524669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).