2-(4-fluoro-2,6-dimethylphenoxy)acetaldehyde

C10H11FO2 — CID 23176648

IUPAC2-(4-fluoro-2,6-dimethylphenoxy)acetaldehyde
SMILESCc1cc(F)cc(C)c1OCC=O
InChIInChI=1S/C10H11FO2/c1-7-5-9(11)6-8(2)10(7)13-4-3-12/h3,5-6H,4H2,1-2H3
InChIKeyLDYSWLOEQJDBBI-UHFFFAOYSA-N
MW182.19 g/mol
LogP2.02
Rot. Bonds3

About 2-(4-fluoro-2,6-dimethylphenoxy)acetaldehyde

2-(4-fluoro-2,6-dimethylphenoxy)acetaldehyde (PubChem CID 23176648) has the molecular formula C10H11FO2 and a molecular weight of 182.19 g/mol. Its IUPAC name is 2-(4-fluoro-2,6-dimethylphenoxy)acetaldehyde.

Molecular Properties

Compound Name2-(4-fluoro-2,6-dimethylphenoxy)acetaldehyde
PubChem CID23176648
Molecular FormulaC10H11FO2
Molecular Weight182.19 g/mol
Exact Mass182.07
IUPAC Name2-(4-fluoro-2,6-dimethylphenoxy)acetaldehyde
SMILESCc1cc(F)cc(C)c1OCC=O
InChIInChI=1S/C10H11FO2/c1-7-5-9(11)6-8(2)10(7)13-4-3-12/h3,5-6H,4H2,1-2H3
InChIKeyLDYSWLOEQJDBBI-UHFFFAOYSA-N
XLogP2.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-fluoro-2,6-dimethylphenoxy)acetaldehyde?
The IUPAC name of 2-(4-fluoro-2,6-dimethylphenoxy)acetaldehyde (CID 23176648) is 2-(4-fluoro-2,6-dimethylphenoxy)acetaldehyde.
What is the SMILES notation for 2-(4-fluoro-2,6-dimethylphenoxy)acetaldehyde?
The canonical SMILES for 2-(4-fluoro-2,6-dimethylphenoxy)acetaldehyde is Cc1cc(F)cc(C)c1OCC=O.
What is the InChIKey of 2-(4-fluoro-2,6-dimethylphenoxy)acetaldehyde?
The InChIKey is LDYSWLOEQJDBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2/c1-7-5-9(11)6-8(2)10(7)13-4-3-12/h3,5-6H,4H2,1-2H3.
What are the key properties of 2-(4-fluoro-2,6-dimethylphenoxy)acetaldehyde?
2-(4-fluoro-2,6-dimethylphenoxy)acetaldehyde has a molecular weight of 182.19 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2,6-dimethylphenoxy)acetaldehyde is sourced from PubChem (CID 23176648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).