5-bromo-2-fluoro-3-propylbenzaldehyde

C10H10BrFO — CID 25243807

IUPAC5-bromo-2-fluoro-3-propylbenzaldehyde
SMILESCCCc1cc(Br)cc(C=O)c1F
InChIInChI=1S/C10H10BrFO/c1-2-3-7-4-9(11)5-8(6-13)10(7)12/h4-6H,2-3H2,1H3
InChIKeyZGBLEQIWGZFPDG-UHFFFAOYSA-N
MW245.09 g/mol
LogP3.35
Rot. Bonds3

About 5-bromo-2-fluoro-3-propylbenzaldehyde

5-bromo-2-fluoro-3-propylbenzaldehyde (PubChem CID 25243807) has the molecular formula C10H10BrFO and a molecular weight of 245.09 g/mol. Its IUPAC name is 5-bromo-2-fluoro-3-propylbenzaldehyde.

Molecular Properties

Compound Name5-bromo-2-fluoro-3-propylbenzaldehyde
PubChem CID25243807
Molecular FormulaC10H10BrFO
Molecular Weight245.09 g/mol
Exact Mass243.99
IUPAC Name5-bromo-2-fluoro-3-propylbenzaldehyde
SMILESCCCc1cc(Br)cc(C=O)c1F
InChIInChI=1S/C10H10BrFO/c1-2-3-7-4-9(11)5-8(6-13)10(7)12/h4-6H,2-3H2,1H3
InChIKeyZGBLEQIWGZFPDG-UHFFFAOYSA-N
XLogP3.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.09
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-bromo-2-fluoro-3-propylbenzaldehyde 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 5-bromo-2-fluoro-3-propylbenzaldehyde?
The IUPAC name of 5-bromo-2-fluoro-3-propylbenzaldehyde (CID 25243807) is 5-bromo-2-fluoro-3-propylbenzaldehyde.
What is the SMILES notation for 5-bromo-2-fluoro-3-propylbenzaldehyde?
The canonical SMILES for 5-bromo-2-fluoro-3-propylbenzaldehyde is CCCc1cc(Br)cc(C=O)c1F.
What is the InChIKey of 5-bromo-2-fluoro-3-propylbenzaldehyde?
The InChIKey is ZGBLEQIWGZFPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO/c1-2-3-7-4-9(11)5-8(6-13)10(7)12/h4-6H,2-3H2,1H3.
What are the key properties of 5-bromo-2-fluoro-3-propylbenzaldehyde?
5-bromo-2-fluoro-3-propylbenzaldehyde has a molecular weight of 245.09 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-3-propylbenzaldehyde is sourced from PubChem (CID 25243807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).