4-(2-fluoroethoxy)benzaldehyde

C9H9FO2 — CID 15058649

IUPAC4-(2-fluoroethoxy)benzaldehyde
SMILESO=Cc1ccc(OCCF)cc1
InChIInChI=1S/C9H9FO2/c10-5-6-12-9-3-1-8(7-11)2-4-9/h1-4,7H,5-6H2
InChIKeyINJGNPMZUJFVFK-UHFFFAOYSA-N
MW168.17 g/mol
LogP1.85
Rot. Bonds4

About 4-(2-fluoroethoxy)benzaldehyde

4-(2-fluoroethoxy)benzaldehyde (PubChem CID 15058649) has the molecular formula C9H9FO2 and a molecular weight of 168.17 g/mol. Its IUPAC name is 4-(2-fluoroethoxy)benzaldehyde.

Molecular Properties

Compound Name4-(2-fluoroethoxy)benzaldehyde
PubChem CID15058649
Molecular FormulaC9H9FO2
Molecular Weight168.17 g/mol
Exact Mass168.06
IUPAC Name4-(2-fluoroethoxy)benzaldehyde
SMILESO=Cc1ccc(OCCF)cc1
InChIInChI=1S/C9H9FO2/c10-5-6-12-9-3-1-8(7-11)2-4-9/h1-4,7H,5-6H2
InChIKeyINJGNPMZUJFVFK-UHFFFAOYSA-N
XLogP1.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[5-(4-formylphenoxy)pentoxy]benzaldehyde
CID 6421022
4-[12-(4-formylphenoxy)dodecoxy]benzaldehyde
CID 19038503
4-(2-phosphanylethoxy)benzaldehyde
CID 143962429
4-(16-hydroxyhexadecoxy)benzaldehyde
CID 22987553
4-(6-hydroxyhexoxy)benzaldehyde
CID 15051082
4-[2-(difluoromethoxy)ethoxy]benzaldehyde
CID 118384245
4-[2-(4-fluorophenyl)ethoxy]benzaldehyde
CID 87614238
6-(4-formylphenoxy)hexyl formate
CID 144750186
4-[4-(4-formylphenoxy)butyl]benzaldehyde
CID 87112127
4-[6-(4-bromophenoxy)hexoxy]benzaldehyde
CID 155015621
4-(10-bromodecoxy)benzaldehyde
CID 71345265
4-icosoxybenzaldehyde
CID 23127488

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethoxy)benzaldehyde?
The IUPAC name of 4-(2-fluoroethoxy)benzaldehyde (CID 15058649) is 4-(2-fluoroethoxy)benzaldehyde.
What is the SMILES notation for 4-(2-fluoroethoxy)benzaldehyde?
The canonical SMILES for 4-(2-fluoroethoxy)benzaldehyde is O=Cc1ccc(OCCF)cc1.
What is the InChIKey of 4-(2-fluoroethoxy)benzaldehyde?
The InChIKey is INJGNPMZUJFVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO2/c10-5-6-12-9-3-1-8(7-11)2-4-9/h1-4,7H,5-6H2.
What are the key properties of 4-(2-fluoroethoxy)benzaldehyde?
4-(2-fluoroethoxy)benzaldehyde has a molecular weight of 168.17 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethoxy)benzaldehyde is sourced from PubChem (CID 15058649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).