4-[5-fluoro-2-(trifluoromethyl)phenyl]benzaldehyde

C14H8F4O — CID 118874792

IUPAC4-[5-fluoro-2-(trifluoromethyl)phenyl]benzaldehyde
SMILESO=Cc1ccc(-c2cc(F)ccc2C(F)(F)F)cc1
InChIInChI=1S/C14H8F4O/c15-11-5-6-13(14(16,17)18)12(7-11)10-3-1-9(8-19)2-4-10/h1-8H
InChIKeyWEUSOPDWTNYIDR-UHFFFAOYSA-N
MW268.21 g/mol
LogP4.32
Rot. Bonds2

About 4-[5-fluoro-2-(trifluoromethyl)phenyl]benzaldehyde

4-[5-fluoro-2-(trifluoromethyl)phenyl]benzaldehyde (PubChem CID 118874792) has the molecular formula C14H8F4O and a molecular weight of 268.21 g/mol. Its IUPAC name is 4-[5-fluoro-2-(trifluoromethyl)phenyl]benzaldehyde.

Molecular Properties

Compound Name4-[5-fluoro-2-(trifluoromethyl)phenyl]benzaldehyde
PubChem CID118874792
Molecular FormulaC14H8F4O
Molecular Weight268.21 g/mol
Exact Mass268.05
IUPAC Name4-[5-fluoro-2-(trifluoromethyl)phenyl]benzaldehyde
SMILESO=Cc1ccc(-c2cc(F)ccc2C(F)(F)F)cc1
InChIInChI=1S/C14H8F4O/c15-11-5-6-13(14(16,17)18)12(7-11)10-3-1-9(8-19)2-4-10/h1-8H
InChIKeyWEUSOPDWTNYIDR-UHFFFAOYSA-N
XLogP4.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.21
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[5-fluoro-2-(trifluoromethyl)phenyl]benzaldehyde?
The IUPAC name of 4-[5-fluoro-2-(trifluoromethyl)phenyl]benzaldehyde (CID 118874792) is 4-[5-fluoro-2-(trifluoromethyl)phenyl]benzaldehyde.
What is the SMILES notation for 4-[5-fluoro-2-(trifluoromethyl)phenyl]benzaldehyde?
The canonical SMILES for 4-[5-fluoro-2-(trifluoromethyl)phenyl]benzaldehyde is O=Cc1ccc(-c2cc(F)ccc2C(F)(F)F)cc1.
What is the InChIKey of 4-[5-fluoro-2-(trifluoromethyl)phenyl]benzaldehyde?
The InChIKey is WEUSOPDWTNYIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4O/c15-11-5-6-13(14(16,17)18)12(7-11)10-3-1-9(8-19)2-4-10/h1-8H.
What are the key properties of 4-[5-fluoro-2-(trifluoromethyl)phenyl]benzaldehyde?
4-[5-fluoro-2-(trifluoromethyl)phenyl]benzaldehyde has a molecular weight of 268.21 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-fluoro-2-(trifluoromethyl)phenyl]benzaldehyde is sourced from PubChem (CID 118874792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).