2-(difluoromethoxy)-5-fluoroterephthalaldehyde

C9H5F3O3 — CID 171026427

IUPAC2-(difluoromethoxy)-5-fluoroterephthalaldehyde
SMILESO=Cc1cc(OC(F)F)c(C=O)cc1F
InChIInChI=1S/C9H5F3O3/c10-7-1-6(4-14)8(15-9(11)12)2-5(7)3-13/h1-4,9H
InChIKeySZFMIGRGIIJWBY-UHFFFAOYSA-N
MW218.13 g/mol
LogP2.05
Rot. Bonds4

About 2-(difluoromethoxy)-5-fluoroterephthalaldehyde

2-(difluoromethoxy)-5-fluoroterephthalaldehyde (PubChem CID 171026427) has the molecular formula C9H5F3O3 and a molecular weight of 218.13 g/mol. Its IUPAC name is 2-(difluoromethoxy)-5-fluoroterephthalaldehyde.

Molecular Properties

Compound Name2-(difluoromethoxy)-5-fluoroterephthalaldehyde
PubChem CID171026427
Molecular FormulaC9H5F3O3
Molecular Weight218.13 g/mol
Exact Mass218.02
IUPAC Name2-(difluoromethoxy)-5-fluoroterephthalaldehyde
SMILESO=Cc1cc(OC(F)F)c(C=O)cc1F
InChIInChI=1S/C9H5F3O3/c10-7-1-6(4-14)8(15-9(11)12)2-5(7)3-13/h1-4,9H
InChIKeySZFMIGRGIIJWBY-UHFFFAOYSA-N
XLogP2.05
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.13
LogP ≤ 52.05
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

2-(difluoromethoxy)-5-fluoro-4-formylbenzoic acid
CID 171026124
2-(difluoromethoxy)-5-ethoxyterephthalaldehyde
CID 171026041
2,4-bis(difluoromethoxy)benzaldehyde
CID 4218025
5-amino-2-(difluoromethoxy)benzaldehyde
CID 143711565
3-(difluoromethoxy)-2-fluoro-5-methylbenzaldehyde
CID 131567111
4-(difluoromethoxy)-5-(trifluoromethyl)phthalaldehyde
CID 171026121
3-(difluoromethoxy)-2-fluoro-5-nitrobenzaldehyde
CID 171031916
4,6-difluorobenzene-1,3-dicarbaldehyde
CID 11030259
2-chloro-5-(difluoromethoxy)pyridine-4-carbaldehyde
CID 131167977
4-chloro-5-(difluoromethoxy)-2-methylbenzaldehyde
CID 171004500
2-[4-(difluoromethoxy)-2-formyl-5-methylphenyl]acetic acid
CID 171032111
4-(difluoromethoxy)-3-formylbenzoic acid
CID 126827729

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-5-fluoroterephthalaldehyde?
The IUPAC name of 2-(difluoromethoxy)-5-fluoroterephthalaldehyde (CID 171026427) is 2-(difluoromethoxy)-5-fluoroterephthalaldehyde.
What is the SMILES notation for 2-(difluoromethoxy)-5-fluoroterephthalaldehyde?
The canonical SMILES for 2-(difluoromethoxy)-5-fluoroterephthalaldehyde is O=Cc1cc(OC(F)F)c(C=O)cc1F.
What is the InChIKey of 2-(difluoromethoxy)-5-fluoroterephthalaldehyde?
The InChIKey is SZFMIGRGIIJWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3O3/c10-7-1-6(4-14)8(15-9(11)12)2-5(7)3-13/h1-4,9H.
What are the key properties of 2-(difluoromethoxy)-5-fluoroterephthalaldehyde?
2-(difluoromethoxy)-5-fluoroterephthalaldehyde has a molecular weight of 218.13 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-5-fluoroterephthalaldehyde is sourced from PubChem (CID 171026427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).