2,6-difluoro-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzaldehyde

C16H22F2O6 — CID 118455142

IUPAC2,6-difluoro-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzaldehyde
SMILESCOCCOCCOCCOCCOc1cc(F)c(C=O)c(F)c1
InChIInChI=1S/C16H22F2O6/c1-20-2-3-21-4-5-22-6-7-23-8-9-24-13-10-15(17)14(12-19)16(18)11-13/h10-12H,2-9H2,1H3
InChIKeyOIAUGHFUNHABIB-UHFFFAOYSA-N
MW348.34 g/mol
LogP1.85
Rot. Bonds14

About 2,6-difluoro-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzaldehyde

2,6-difluoro-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzaldehyde (PubChem CID 118455142) has the molecular formula C16H22F2O6 and a molecular weight of 348.34 g/mol. Its IUPAC name is 2,6-difluoro-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzaldehyde.

Molecular Properties

Compound Name2,6-difluoro-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzaldehyde
PubChem CID118455142
Molecular FormulaC16H22F2O6
Molecular Weight348.34 g/mol
Exact Mass348.14
IUPAC Name2,6-difluoro-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzaldehyde
SMILESCOCCOCCOCCOCCOc1cc(F)c(C=O)c(F)c1
InChIInChI=1S/C16H22F2O6/c1-20-2-3-21-4-5-22-6-7-23-8-9-24-13-10-15(17)14(12-19)16(18)11-13/h10-12H,2-9H2,1H3
InChIKeyOIAUGHFUNHABIB-UHFFFAOYSA-N
XLogP1.85
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde
CID 87722471
potassium trifluoro-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]boranuide
CID 65202692
3,5-difluoro-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde
CID 103178174
2-fluoro-4-(2-methoxyethoxy)-1-methylbenzene
CID 21363868
(1R)-1-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanamine
CID 107718394
2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]-1-methylbenzene
CID 107171281
2-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzenecarbothioamide
CID 104563174
2-chloro-6-fluoro-3-(2-methoxyethoxy)benzaldehyde
CID 59803816
5-(chloromethyl)-1,3-difluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
CID 104564276
2-(4-chloro-3-fluorophenyl)-5-(2-methoxyethoxy)benzaldehyde
CID 172653691
1-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperidine
CID 129149337
2-[2-(2-methoxyethoxy)ethoxy]-3,5-dimethylbenzaldehyde
CID 155578590

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzaldehyde?
The IUPAC name of 2,6-difluoro-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzaldehyde (CID 118455142) is 2,6-difluoro-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzaldehyde.
What is the SMILES notation for 2,6-difluoro-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzaldehyde?
The canonical SMILES for 2,6-difluoro-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzaldehyde is COCCOCCOCCOCCOc1cc(F)c(C=O)c(F)c1.
What is the InChIKey of 2,6-difluoro-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzaldehyde?
The InChIKey is OIAUGHFUNHABIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2O6/c1-20-2-3-21-4-5-22-6-7-23-8-9-24-13-10-15(17)14(12-19)16(18)11-13/h10-12H,2-9H2,1H3.
What are the key properties of 2,6-difluoro-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzaldehyde?
2,6-difluoro-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzaldehyde has a molecular weight of 348.34 g/mol, XLogP of 1.85, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzaldehyde is sourced from PubChem (CID 118455142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).