5-[3-(difluoromethoxy)-4-methoxyphenyl]furan-2-carbaldehyde

C13H10F2O4 — CID 169335432

IUPAC5-[3-(difluoromethoxy)-4-methoxyphenyl]furan-2-carbaldehyde
SMILESCOc1ccc(-c2ccc(C=O)o2)cc1OC(F)F
InChIInChI=1S/C13H10F2O4/c1-17-11-4-2-8(6-12(11)19-13(14)15)10-5-3-9(7-16)18-10/h2-7,13H,1H3
InChIKeyYNFYQAFJFVWDEB-UHFFFAOYSA-N
MW268.22 g/mol
LogP3.37
Rot. Bonds5

About 5-[3-(difluoromethoxy)-4-methoxyphenyl]furan-2-carbaldehyde

5-[3-(difluoromethoxy)-4-methoxyphenyl]furan-2-carbaldehyde (PubChem CID 169335432) has the molecular formula C13H10F2O4 and a molecular weight of 268.22 g/mol. Its IUPAC name is 5-[3-(difluoromethoxy)-4-methoxyphenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[3-(difluoromethoxy)-4-methoxyphenyl]furan-2-carbaldehyde
PubChem CID169335432
Molecular FormulaC13H10F2O4
Molecular Weight268.22 g/mol
Exact Mass268.05
IUPAC Name5-[3-(difluoromethoxy)-4-methoxyphenyl]furan-2-carbaldehyde
SMILESCOc1ccc(-c2ccc(C=O)o2)cc1OC(F)F
InChIInChI=1S/C13H10F2O4/c1-17-11-4-2-8(6-12(11)19-13(14)15)10-5-3-9(7-16)18-10/h2-7,13H,1H3
InChIKeyYNFYQAFJFVWDEB-UHFFFAOYSA-N
XLogP3.37
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3-iodo-4-methoxyphenyl)furan-2-carbaldehyde
CID 169331838
methyl 2-[4-(5-formylfuran-2-yl)-2-methoxyphenoxy]acetate
CID 169333225
5-[2-(difluoromethoxy)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde
CID 169335505
5-[3-fluoro-4-(2-methylpropoxy)phenyl]furan-2-carbaldehyde
CID 169334432
5-[4-(2-methoxyphenyl)phenyl]furan-2-carbaldehyde
CID 169332736
5-(4-ethoxy-3-fluorophenyl)furan-2-carbaldehyde
CID 169333423
5-[3-fluoro-4-(2-methoxyethoxy)phenyl]furan-2-carbaldehyde
CID 169334200
5-(3-ethoxy-4-formylphenyl)furan-2-carbaldehyde
CID 145228205
5-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]furan-2-carbaldehyde
CID 169333455
2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 19554615
3-fluoro-2-(5-formylfuran-2-yl)-4,5-dimethoxybenzamide
CID 169335091
5-(3-iodo-4-methylphenyl)furan-2-carbaldehyde
CID 130498195

Frequently Asked Questions

What is the IUPAC name of 5-[3-(difluoromethoxy)-4-methoxyphenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[3-(difluoromethoxy)-4-methoxyphenyl]furan-2-carbaldehyde (CID 169335432) is 5-[3-(difluoromethoxy)-4-methoxyphenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[3-(difluoromethoxy)-4-methoxyphenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[3-(difluoromethoxy)-4-methoxyphenyl]furan-2-carbaldehyde is COc1ccc(-c2ccc(C=O)o2)cc1OC(F)F.
What is the InChIKey of 5-[3-(difluoromethoxy)-4-methoxyphenyl]furan-2-carbaldehyde?
The InChIKey is YNFYQAFJFVWDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2O4/c1-17-11-4-2-8(6-12(11)19-13(14)15)10-5-3-9(7-16)18-10/h2-7,13H,1H3.
What are the key properties of 5-[3-(difluoromethoxy)-4-methoxyphenyl]furan-2-carbaldehyde?
5-[3-(difluoromethoxy)-4-methoxyphenyl]furan-2-carbaldehyde has a molecular weight of 268.22 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(difluoromethoxy)-4-methoxyphenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169335432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).