2-(3,4,5-trifluorophenyl)benzaldehyde

C13H7F3O — CID 61240259

IUPAC2-(3,4,5-trifluorophenyl)benzaldehyde
SMILESO=Cc1ccccc1-c1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H7F3O/c14-11-5-9(6-12(15)13(11)16)10-4-2-1-3-8(10)7-17/h1-7H
InChIKeyRZRMQDWTJYTEBI-UHFFFAOYSA-N
MW236.19 g/mol
LogP3.58
Rot. Bonds2

About 2-(3,4,5-trifluorophenyl)benzaldehyde

2-(3,4,5-trifluorophenyl)benzaldehyde (PubChem CID 61240259) has the molecular formula C13H7F3O and a molecular weight of 236.19 g/mol. Its IUPAC name is 2-(3,4,5-trifluorophenyl)benzaldehyde.

Molecular Properties

Compound Name2-(3,4,5-trifluorophenyl)benzaldehyde
PubChem CID61240259
Molecular FormulaC13H7F3O
Molecular Weight236.19 g/mol
Exact Mass236.04
IUPAC Name2-(3,4,5-trifluorophenyl)benzaldehyde
SMILESO=Cc1ccccc1-c1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H7F3O/c14-11-5-9(6-12(15)13(11)16)10-4-2-1-3-8(10)7-17/h1-7H
InChIKeyRZRMQDWTJYTEBI-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'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4,5-trifluorophenyl)benzaldehyde?
The IUPAC name of 2-(3,4,5-trifluorophenyl)benzaldehyde (CID 61240259) is 2-(3,4,5-trifluorophenyl)benzaldehyde.
What is the SMILES notation for 2-(3,4,5-trifluorophenyl)benzaldehyde?
The canonical SMILES for 2-(3,4,5-trifluorophenyl)benzaldehyde is O=Cc1ccccc1-c1cc(F)c(F)c(F)c1.
What is the InChIKey of 2-(3,4,5-trifluorophenyl)benzaldehyde?
The InChIKey is RZRMQDWTJYTEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3O/c14-11-5-9(6-12(15)13(11)16)10-4-2-1-3-8(10)7-17/h1-7H.
What are the key properties of 2-(3,4,5-trifluorophenyl)benzaldehyde?
2-(3,4,5-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 2-(3,4,5-trifluorophenyl)benzaldehyde is sourced from PubChem (CID 61240259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).