2-[4-(trifluoromethoxy)phenyl]benzaldehyde

C14H9F3O2 — CID 2760718

IUPAC2-[4-(trifluoromethoxy)phenyl]benzaldehyde
SMILESO=Cc1ccccc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H9F3O2/c15-14(16,17)19-12-7-5-10(6-8-12)13-4-2-1-3-11(13)9-18/h1-9H
InChIKeyGFDYSHSBKDFJJD-UHFFFAOYSA-N
MW266.22 g/mol
LogP4.06
Rot. Bonds3

About 2-[4-(trifluoromethoxy)phenyl]benzaldehyde

2-[4-(trifluoromethoxy)phenyl]benzaldehyde (PubChem CID 2760718) has the molecular formula C14H9F3O2 and a molecular weight of 266.22 g/mol. Its IUPAC name is 2-[4-(trifluoromethoxy)phenyl]benzaldehyde.

Molecular Properties

Compound Name2-[4-(trifluoromethoxy)phenyl]benzaldehyde
PubChem CID2760718
Molecular FormulaC14H9F3O2
Molecular Weight266.22 g/mol
Exact Mass266.06
IUPAC Name2-[4-(trifluoromethoxy)phenyl]benzaldehyde
SMILESO=Cc1ccccc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H9F3O2/c15-14(16,17)19-12-7-5-10(6-8-12)13-4-2-1-3-11(13)9-18/h1-9H
InChIKeyGFDYSHSBKDFJJD-UHFFFAOYSA-N
XLogP4.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[4-(trifluoromethoxy)phenyl]benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethoxy)phenyl]benzaldehyde?
The IUPAC name of 2-[4-(trifluoromethoxy)phenyl]benzaldehyde (CID 2760718) is 2-[4-(trifluoromethoxy)phenyl]benzaldehyde.
What is the SMILES notation for 2-[4-(trifluoromethoxy)phenyl]benzaldehyde?
The canonical SMILES for 2-[4-(trifluoromethoxy)phenyl]benzaldehyde is O=Cc1ccccc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[4-(trifluoromethoxy)phenyl]benzaldehyde?
The InChIKey is GFDYSHSBKDFJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3O2/c15-14(16,17)19-12-7-5-10(6-8-12)13-4-2-1-3-11(13)9-18/h1-9H.
What are the key properties of 2-[4-(trifluoromethoxy)phenyl]benzaldehyde?
2-[4-(trifluoromethoxy)phenyl]benzaldehyde has a molecular weight of 266.22 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethoxy)phenyl]benzaldehyde is sourced from PubChem (CID 2760718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).