2-(2-ethoxy-4,5-difluorophenyl)acetaldehyde

C10H10F2O2 — CID 83880628

IUPAC2-(2-ethoxy-4,5-difluorophenyl)acetaldehyde
SMILESCCOc1cc(F)c(F)cc1CC=O
InChIInChI=1S/C10H10F2O2/c1-2-14-10-6-9(12)8(11)5-7(10)3-4-13/h4-6H,2-3H2,1H3
InChIKeyIZCXEKMGYQFRPU-UHFFFAOYSA-N
MW200.18 g/mol
LogP2.10
Rot. Bonds4

About 2-(2-ethoxy-4,5-difluorophenyl)acetaldehyde

2-(2-ethoxy-4,5-difluorophenyl)acetaldehyde (PubChem CID 83880628) has the molecular formula C10H10F2O2 and a molecular weight of 200.18 g/mol. Its IUPAC name is 2-(2-ethoxy-4,5-difluorophenyl)acetaldehyde.

Molecular Properties

Compound Name2-(2-ethoxy-4,5-difluorophenyl)acetaldehyde
PubChem CID83880628
Molecular FormulaC10H10F2O2
Molecular Weight200.18 g/mol
Exact Mass200.06
IUPAC Name2-(2-ethoxy-4,5-difluorophenyl)acetaldehyde
SMILESCCOc1cc(F)c(F)cc1CC=O
InChIInChI=1S/C10H10F2O2/c1-2-14-10-6-9(12)8(11)5-7(10)3-4-13/h4-6H,2-3H2,1H3
InChIKeyIZCXEKMGYQFRPU-UHFFFAOYSA-N
XLogP2.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.18
LogP ≤ 52.10
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-(2-ethoxy-4,5-difluorophenyl)acetaldehyde?
The IUPAC name of 2-(2-ethoxy-4,5-difluorophenyl)acetaldehyde (CID 83880628) is 2-(2-ethoxy-4,5-difluorophenyl)acetaldehyde.
What is the SMILES notation for 2-(2-ethoxy-4,5-difluorophenyl)acetaldehyde?
The canonical SMILES for 2-(2-ethoxy-4,5-difluorophenyl)acetaldehyde is CCOc1cc(F)c(F)cc1CC=O.
What is the InChIKey of 2-(2-ethoxy-4,5-difluorophenyl)acetaldehyde?
The InChIKey is IZCXEKMGYQFRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O2/c1-2-14-10-6-9(12)8(11)5-7(10)3-4-13/h4-6H,2-3H2,1H3.
What are the key properties of 2-(2-ethoxy-4,5-difluorophenyl)acetaldehyde?
2-(2-ethoxy-4,5-difluorophenyl)acetaldehyde has a molecular weight of 200.18 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-4,5-difluorophenyl)acetaldehyde is sourced from PubChem (CID 83880628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).