4-(2,4,6-trifluorophenyl)benzaldehyde

C13H7F3O — CID 54910403

IUPAC4-(2,4,6-trifluorophenyl)benzaldehyde
SMILESO=Cc1ccc(-c2c(F)cc(F)cc2F)cc1
InChIInChI=1S/C13H7F3O/c14-10-5-11(15)13(12(16)6-10)9-3-1-8(7-17)2-4-9/h1-7H
InChIKeyPZEWBODRVQMTIW-UHFFFAOYSA-N
MW236.19 g/mol
LogP3.58
Rot. Bonds2

About 4-(2,4,6-trifluorophenyl)benzaldehyde

4-(2,4,6-trifluorophenyl)benzaldehyde (PubChem CID 54910403) has the molecular formula C13H7F3O and a molecular weight of 236.19 g/mol. Its IUPAC name is 4-(2,4,6-trifluorophenyl)benzaldehyde.

Molecular Properties

Compound Name4-(2,4,6-trifluorophenyl)benzaldehyde
PubChem CID54910403
Molecular FormulaC13H7F3O
Molecular Weight236.19 g/mol
Exact Mass236.04
IUPAC Name4-(2,4,6-trifluorophenyl)benzaldehyde
SMILESO=Cc1ccc(-c2c(F)cc(F)cc2F)cc1
InChIInChI=1S/C13H7F3O/c14-10-5-11(15)13(12(16)6-10)9-3-1-8(7-17)2-4-9/h1-7H
InChIKeyPZEWBODRVQMTIW-UHFFFAOYSA-N
XLogP3.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 53.58
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-(2,4,6-trifluorophenyl)benzaldehyde?
The IUPAC name of 4-(2,4,6-trifluorophenyl)benzaldehyde (CID 54910403) is 4-(2,4,6-trifluorophenyl)benzaldehyde.
What is the SMILES notation for 4-(2,4,6-trifluorophenyl)benzaldehyde?
The canonical SMILES for 4-(2,4,6-trifluorophenyl)benzaldehyde is O=Cc1ccc(-c2c(F)cc(F)cc2F)cc1.
What is the InChIKey of 4-(2,4,6-trifluorophenyl)benzaldehyde?
The InChIKey is PZEWBODRVQMTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3O/c14-10-5-11(15)13(12(16)6-10)9-3-1-8(7-17)2-4-9/h1-7H.
What are the key properties of 4-(2,4,6-trifluorophenyl)benzaldehyde?
4-(2,4,6-trifluorophenyl)benzaldehyde has a molecular weight of 236.19 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4,6-trifluorophenyl)benzaldehyde is sourced from PubChem (CID 54910403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).