2,3-dimethyl-5-(trifluoromethyl)benzaldehyde

C10H9F3O — CID 162568295

IUPAC2,3-dimethyl-5-(trifluoromethyl)benzaldehyde
SMILESCc1cc(C(F)(F)F)cc(C=O)c1C
InChIInChI=1S/C10H9F3O/c1-6-3-9(10(11,12)13)4-8(5-14)7(6)2/h3-5H,1-2H3
InChIKeyVLYADYMELFEXKC-UHFFFAOYSA-N
MW202.17 g/mol
LogP3.13
Rot. Bonds1

About 2,3-dimethyl-5-(trifluoromethyl)benzaldehyde

2,3-dimethyl-5-(trifluoromethyl)benzaldehyde (PubChem CID 162568295) has the molecular formula C10H9F3O and a molecular weight of 202.17 g/mol. Its IUPAC name is 2,3-dimethyl-5-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name2,3-dimethyl-5-(trifluoromethyl)benzaldehyde
PubChem CID162568295
Molecular FormulaC10H9F3O
Molecular Weight202.17 g/mol
Exact Mass202.06
IUPAC Name2,3-dimethyl-5-(trifluoromethyl)benzaldehyde
SMILESCc1cc(C(F)(F)F)cc(C=O)c1C
InChIInChI=1S/C10H9F3O/c1-6-3-9(10(11,12)13)4-8(5-14)7(6)2/h3-5H,1-2H3
InChIKeyVLYADYMELFEXKC-UHFFFAOYSA-N
XLogP3.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,3-dimethyl-5-(trifluoromethyl)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 2,3-dimethyl-5-(trifluoromethyl)benzaldehyde?
The IUPAC name of 2,3-dimethyl-5-(trifluoromethyl)benzaldehyde (CID 162568295) is 2,3-dimethyl-5-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 2,3-dimethyl-5-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 2,3-dimethyl-5-(trifluoromethyl)benzaldehyde is Cc1cc(C(F)(F)F)cc(C=O)c1C.
What is the InChIKey of 2,3-dimethyl-5-(trifluoromethyl)benzaldehyde?
The InChIKey is VLYADYMELFEXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O/c1-6-3-9(10(11,12)13)4-8(5-14)7(6)2/h3-5H,1-2H3.
What are the key properties of 2,3-dimethyl-5-(trifluoromethyl)benzaldehyde?
2,3-dimethyl-5-(trifluoromethyl)benzaldehyde has a molecular weight of 202.17 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 162568295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).