2-(1-ethoxyethenyl)-6-fluorobenzaldehyde

C11H11FO2 — CID 165465626

IUPAC2-(1-ethoxyethenyl)-6-fluorobenzaldehyde
SMILESC=C(OCC)c1cccc(F)c1C=O
InChIInChI=1S/C11H11FO2/c1-3-14-8(2)9-5-4-6-11(12)10(9)7-13/h4-7H,2-3H2,1H3
InChIKeyCUOAEOUYZJXBPD-UHFFFAOYSA-N
MW194.20 g/mol
LogP2.65
Rot. Bonds4

About 2-(1-ethoxyethenyl)-6-fluorobenzaldehyde

2-(1-ethoxyethenyl)-6-fluorobenzaldehyde (PubChem CID 165465626) has the molecular formula C11H11FO2 and a molecular weight of 194.20 g/mol. Its IUPAC name is 2-(1-ethoxyethenyl)-6-fluorobenzaldehyde.

Molecular Properties

Compound Name2-(1-ethoxyethenyl)-6-fluorobenzaldehyde
PubChem CID165465626
Molecular FormulaC11H11FO2
Molecular Weight194.20 g/mol
Exact Mass194.07
IUPAC Name2-(1-ethoxyethenyl)-6-fluorobenzaldehyde
SMILESC=C(OCC)c1cccc(F)c1C=O
InChIInChI=1S/C11H11FO2/c1-3-14-8(2)9-5-4-6-11(12)10(9)7-13/h4-7H,2-3H2,1H3
InChIKeyCUOAEOUYZJXBPD-UHFFFAOYSA-N
XLogP2.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyethenyl)-6-fluorobenzaldehyde?
The IUPAC name of 2-(1-ethoxyethenyl)-6-fluorobenzaldehyde (CID 165465626) is 2-(1-ethoxyethenyl)-6-fluorobenzaldehyde.
What is the SMILES notation for 2-(1-ethoxyethenyl)-6-fluorobenzaldehyde?
The canonical SMILES for 2-(1-ethoxyethenyl)-6-fluorobenzaldehyde is C=C(OCC)c1cccc(F)c1C=O.
What is the InChIKey of 2-(1-ethoxyethenyl)-6-fluorobenzaldehyde?
The InChIKey is CUOAEOUYZJXBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO2/c1-3-14-8(2)9-5-4-6-11(12)10(9)7-13/h4-7H,2-3H2,1H3.
What are the key properties of 2-(1-ethoxyethenyl)-6-fluorobenzaldehyde?
2-(1-ethoxyethenyl)-6-fluorobenzaldehyde has a molecular weight of 194.20 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethenyl)-6-fluorobenzaldehyde is sourced from PubChem (CID 165465626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).