4-[2-(difluoromethoxy)ethoxy]benzaldehyde

C10H10F2O3 — CID 118384245

IUPAC4-[2-(difluoromethoxy)ethoxy]benzaldehyde
SMILESO=Cc1ccc(OCCOC(F)F)cc1
InChIInChI=1S/C10H10F2O3/c11-10(12)15-6-5-14-9-3-1-8(7-13)2-4-9/h1-4,7,10H,5-6H2
InChIKeyMZVVHAKKWDSMOR-UHFFFAOYSA-N
MW216.18 g/mol
LogP2.12
Rot. Bonds6

About 4-[2-(difluoromethoxy)ethoxy]benzaldehyde

4-[2-(difluoromethoxy)ethoxy]benzaldehyde (PubChem CID 118384245) has the molecular formula C10H10F2O3 and a molecular weight of 216.18 g/mol. Its IUPAC name is 4-[2-(difluoromethoxy)ethoxy]benzaldehyde.

Molecular Properties

Compound Name4-[2-(difluoromethoxy)ethoxy]benzaldehyde
PubChem CID118384245
Molecular FormulaC10H10F2O3
Molecular Weight216.18 g/mol
Exact Mass216.06
IUPAC Name4-[2-(difluoromethoxy)ethoxy]benzaldehyde
SMILESO=Cc1ccc(OCCOC(F)F)cc1
InChIInChI=1S/C10H10F2O3/c11-10(12)15-6-5-14-9-3-1-8(7-13)2-4-9/h1-4,7,10H,5-6H2
InChIKeyMZVVHAKKWDSMOR-UHFFFAOYSA-N
XLogP2.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.18
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-fluoroethoxy)benzaldehyde
CID 15058649
4-[5-(4-formylphenoxy)pentoxy]benzaldehyde
CID 6421022
4-[12-(4-formylphenoxy)dodecoxy]benzaldehyde
CID 19038503
4-(2-phosphanylethoxy)benzaldehyde
CID 143962429
4-icosoxybenzaldehyde
CID 23127488
4-(difluoromethoxy)benzaldehyde
CID 2736986
4-(2-hydroxybutoxy)benzaldehyde
CID 60885218
4-[2-(4-fluorophenyl)ethoxy]benzaldehyde
CID 87614238
6-(4-formylphenoxy)hexyl formate
CID 144750186
4-(16-hydroxyhexadecoxy)benzaldehyde
CID 22987553
4-(6-hydroxyhexoxy)benzaldehyde
CID 15051082
4-[6-(4-bromophenoxy)hexoxy]benzaldehyde
CID 155015621

Frequently Asked Questions

What is the IUPAC name of 4-[2-(difluoromethoxy)ethoxy]benzaldehyde?
The IUPAC name of 4-[2-(difluoromethoxy)ethoxy]benzaldehyde (CID 118384245) is 4-[2-(difluoromethoxy)ethoxy]benzaldehyde.
What is the SMILES notation for 4-[2-(difluoromethoxy)ethoxy]benzaldehyde?
The canonical SMILES for 4-[2-(difluoromethoxy)ethoxy]benzaldehyde is O=Cc1ccc(OCCOC(F)F)cc1.
What is the InChIKey of 4-[2-(difluoromethoxy)ethoxy]benzaldehyde?
The InChIKey is MZVVHAKKWDSMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O3/c11-10(12)15-6-5-14-9-3-1-8(7-13)2-4-9/h1-4,7,10H,5-6H2.
What are the key properties of 4-[2-(difluoromethoxy)ethoxy]benzaldehyde?
4-[2-(difluoromethoxy)ethoxy]benzaldehyde has a molecular weight of 216.18 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(difluoromethoxy)ethoxy]benzaldehyde is sourced from PubChem (CID 118384245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).