2-(2,2-difluoroethoxy)-4-(4-fluorophenyl)benzaldehyde

C15H11F3O2 — CID 171662713

IUPAC2-(2,2-difluoroethoxy)-4-(4-fluorophenyl)benzaldehyde
SMILESO=Cc1ccc(-c2ccc(F)cc2)cc1OCC(F)F
InChIInChI=1S/C15H11F3O2/c16-13-5-3-10(4-6-13)11-1-2-12(8-19)14(7-11)20-9-15(17)18/h1-8,15H,9H2
InChIKeyLIBIFGGTZCISTN-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.95
Rot. Bonds5

About 2-(2,2-difluoroethoxy)-4-(4-fluorophenyl)benzaldehyde

2-(2,2-difluoroethoxy)-4-(4-fluorophenyl)benzaldehyde (PubChem CID 171662713) has the molecular formula C15H11F3O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-4-(4-fluorophenyl)benzaldehyde.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-4-(4-fluorophenyl)benzaldehyde
PubChem CID171662713
Molecular FormulaC15H11F3O2
Molecular Weight280.25 g/mol
Exact Mass280.07
IUPAC Name2-(2,2-difluoroethoxy)-4-(4-fluorophenyl)benzaldehyde
SMILESO=Cc1ccc(-c2ccc(F)cc2)cc1OCC(F)F
InChIInChI=1S/C15H11F3O2/c16-13-5-3-10(4-6-13)11-1-2-12(8-19)14(7-11)20-9-15(17)18/h1-8,15H,9H2
InChIKeyLIBIFGGTZCISTN-UHFFFAOYSA-N
XLogP3.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-(2,2-difluoroethoxy)benzaldehyde
CID 82006187
4-fluoro-2-propoxybenzaldehyde
CID 74889364
2-(2,2-difluoroethoxy)-5-methoxybenzaldehyde
CID 60922402
2-[2-(4-fluorophenoxy)ethoxy]-4-methoxybenzaldehyde
CID 20984228
1-chloro-2-(2,2-difluoroethoxy)-4-fluorobenzene
CID 130501614
2-(2-methylpropoxy)-5-phenylbenzaldehyde
CID 54795057
4-fluoro-2-[(2-fluorophenyl)methoxy]benzaldehyde
CID 91658405
4-fluoro-2-methoxybenzaldehyde
CID 2774537
4-(18F)fluoro-2-methoxy(18F)benzaldehyde
CID 14816736
4-thiophen-3-yl-2-(2,2,2-trifluoroethoxy)benzaldehyde
CID 172650305
2-(bromomethyl)-1-(2,2-difluoroethoxy)-4-fluorobenzene
CID 107699186
7'-(2,2-difluoroethoxy)-2',2'-difluorospiro[1,3-dioxolane-2,3'-1H-indene]-4'-carbaldehyde
CID 122515514

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-4-(4-fluorophenyl)benzaldehyde?
The IUPAC name of 2-(2,2-difluoroethoxy)-4-(4-fluorophenyl)benzaldehyde (CID 171662713) is 2-(2,2-difluoroethoxy)-4-(4-fluorophenyl)benzaldehyde.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-4-(4-fluorophenyl)benzaldehyde?
The canonical SMILES for 2-(2,2-difluoroethoxy)-4-(4-fluorophenyl)benzaldehyde is O=Cc1ccc(-c2ccc(F)cc2)cc1OCC(F)F.
What is the InChIKey of 2-(2,2-difluoroethoxy)-4-(4-fluorophenyl)benzaldehyde?
The InChIKey is LIBIFGGTZCISTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O2/c16-13-5-3-10(4-6-13)11-1-2-12(8-19)14(7-11)20-9-15(17)18/h1-8,15H,9H2.
What are the key properties of 2-(2,2-difluoroethoxy)-4-(4-fluorophenyl)benzaldehyde?
2-(2,2-difluoroethoxy)-4-(4-fluorophenyl)benzaldehyde has a molecular weight of 280.25 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-4-(4-fluorophenyl)benzaldehyde is sourced from PubChem (CID 171662713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).