2-fluoro-4-[2-(trifluoromethyl)phenoxy]benzaldehyde

C14H8F4O2 — CID 22283553

IUPAC2-fluoro-4-[2-(trifluoromethyl)phenoxy]benzaldehyde
SMILESO=Cc1ccc(Oc2ccccc2C(F)(F)F)cc1F
InChIInChI=1S/C14H8F4O2/c15-12-7-10(6-5-9(12)8-19)20-13-4-2-1-3-11(13)14(16,17)18/h1-8H
InChIKeyJVSNJFLYBJIJKI-UHFFFAOYSA-N
MW284.21 g/mol
LogP4.45
Rot. Bonds3

About 2-fluoro-4-[2-(trifluoromethyl)phenoxy]benzaldehyde

2-fluoro-4-[2-(trifluoromethyl)phenoxy]benzaldehyde (PubChem CID 22283553) has the molecular formula C14H8F4O2 and a molecular weight of 284.21 g/mol. Its IUPAC name is 2-fluoro-4-[2-(trifluoromethyl)phenoxy]benzaldehyde.

Molecular Properties

Compound Name2-fluoro-4-[2-(trifluoromethyl)phenoxy]benzaldehyde
PubChem CID22283553
Molecular FormulaC14H8F4O2
Molecular Weight284.21 g/mol
Exact Mass284.05
IUPAC Name2-fluoro-4-[2-(trifluoromethyl)phenoxy]benzaldehyde
SMILESO=Cc1ccc(Oc2ccccc2C(F)(F)F)cc1F
InChIInChI=1S/C14H8F4O2/c15-12-7-10(6-5-9(12)8-19)20-13-4-2-1-3-11(13)14(16,17)18/h1-8H
InChIKeyJVSNJFLYBJIJKI-UHFFFAOYSA-N
XLogP4.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.21
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[2-(trifluoromethyl)phenoxy]benzaldehyde?
The IUPAC name of 2-fluoro-4-[2-(trifluoromethyl)phenoxy]benzaldehyde (CID 22283553) is 2-fluoro-4-[2-(trifluoromethyl)phenoxy]benzaldehyde.
What is the SMILES notation for 2-fluoro-4-[2-(trifluoromethyl)phenoxy]benzaldehyde?
The canonical SMILES for 2-fluoro-4-[2-(trifluoromethyl)phenoxy]benzaldehyde is O=Cc1ccc(Oc2ccccc2C(F)(F)F)cc1F.
What is the InChIKey of 2-fluoro-4-[2-(trifluoromethyl)phenoxy]benzaldehyde?
The InChIKey is JVSNJFLYBJIJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4O2/c15-12-7-10(6-5-9(12)8-19)20-13-4-2-1-3-11(13)14(16,17)18/h1-8H.
What are the key properties of 2-fluoro-4-[2-(trifluoromethyl)phenoxy]benzaldehyde?
2-fluoro-4-[2-(trifluoromethyl)phenoxy]benzaldehyde has a molecular weight of 284.21 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[2-(trifluoromethyl)phenoxy]benzaldehyde is sourced from PubChem (CID 22283553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).