2-(3,5-difluorophenyl)-3,3,3-trifluoropropanal

C9H5F5O — CID 142325276

IUPAC2-(3,5-difluorophenyl)-3,3,3-trifluoropropanal
SMILESO=CC(c1cc(F)cc(F)c1)C(F)(F)F
InChIInChI=1S/C9H5F5O/c10-6-1-5(2-7(11)3-6)8(4-15)9(12,13)14/h1-4,8H
InChIKeyQLNQXBUVAXWDJX-UHFFFAOYSA-N
MW224.13 g/mol
LogP2.81
Rot. Bonds2

About 2-(3,5-difluorophenyl)-3,3,3-trifluoropropanal

2-(3,5-difluorophenyl)-3,3,3-trifluoropropanal (PubChem CID 142325276) has the molecular formula C9H5F5O and a molecular weight of 224.13 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-3,3,3-trifluoropropanal.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-3,3,3-trifluoropropanal
PubChem CID142325276
Molecular FormulaC9H5F5O
Molecular Weight224.13 g/mol
Exact Mass224.03
IUPAC Name2-(3,5-difluorophenyl)-3,3,3-trifluoropropanal
SMILESO=CC(c1cc(F)cc(F)c1)C(F)(F)F
InChIInChI=1S/C9H5F5O/c10-6-1-5(2-7(11)3-6)8(4-15)9(12,13)14/h1-4,8H
InChIKeyQLNQXBUVAXWDJX-UHFFFAOYSA-N
XLogP2.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.13
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(3,5-difluorophenyl)-3,3,3-trifluoropropanal 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-(3,5-difluorophenyl)-3,3,3-trifluoropropanal?
The IUPAC name of 2-(3,5-difluorophenyl)-3,3,3-trifluoropropanal (CID 142325276) is 2-(3,5-difluorophenyl)-3,3,3-trifluoropropanal.
What is the SMILES notation for 2-(3,5-difluorophenyl)-3,3,3-trifluoropropanal?
The canonical SMILES for 2-(3,5-difluorophenyl)-3,3,3-trifluoropropanal is O=CC(c1cc(F)cc(F)c1)C(F)(F)F.
What is the InChIKey of 2-(3,5-difluorophenyl)-3,3,3-trifluoropropanal?
The InChIKey is QLNQXBUVAXWDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F5O/c10-6-1-5(2-7(11)3-6)8(4-15)9(12,13)14/h1-4,8H.
What are the key properties of 2-(3,5-difluorophenyl)-3,3,3-trifluoropropanal?
2-(3,5-difluorophenyl)-3,3,3-trifluoropropanal has a molecular weight of 224.13 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-3,3,3-trifluoropropanal is sourced from PubChem (CID 142325276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).