2-(4-chloro-2-fluorophenyl)acetaldehyde

C8H6ClFO — CID 21262458

IUPAC2-(4-chloro-2-fluorophenyl)acetaldehyde
SMILESO=CCc1ccc(Cl)cc1F
InChIInChI=1S/C8H6ClFO/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,4-5H,3H2
InChIKeyUQMJDENQJRBEQI-UHFFFAOYSA-N
MW172.59 g/mol
LogP2.22
Rot. Bonds2

About 2-(4-chloro-2-fluorophenyl)acetaldehyde

2-(4-chloro-2-fluorophenyl)acetaldehyde (PubChem CID 21262458) has the molecular formula C8H6ClFO and a molecular weight of 172.59 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)acetaldehyde.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)acetaldehyde
PubChem CID21262458
Molecular FormulaC8H6ClFO
Molecular Weight172.59 g/mol
Exact Mass172.01
IUPAC Name2-(4-chloro-2-fluorophenyl)acetaldehyde
SMILESO=CCc1ccc(Cl)cc1F
InChIInChI=1S/C8H6ClFO/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,4-5H,3H2
InChIKeyUQMJDENQJRBEQI-UHFFFAOYSA-N
XLogP2.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.59
LogP ≤ 52.22
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 2-(4-chloro-2-fluorophenyl)acetaldehyde?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)acetaldehyde (CID 21262458) is 2-(4-chloro-2-fluorophenyl)acetaldehyde.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)acetaldehyde?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)acetaldehyde is O=CCc1ccc(Cl)cc1F.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)acetaldehyde?
The InChIKey is UQMJDENQJRBEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFO/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,4-5H,3H2.
What are the key properties of 2-(4-chloro-2-fluorophenyl)acetaldehyde?
2-(4-chloro-2-fluorophenyl)acetaldehyde has a molecular weight of 172.59 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)acetaldehyde is sourced from PubChem (CID 21262458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).