3,5-difluoro-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde

C13H16F2O4 — CID 103178174

IUPAC3,5-difluoro-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde
SMILESCOCCCOCCOc1c(F)cc(C=O)cc1F
InChIInChI=1S/C13H16F2O4/c1-17-3-2-4-18-5-6-19-13-11(14)7-10(9-16)8-12(13)15/h7-9H,2-6H2,1H3
InChIKeyCGPADOWDEYHUHO-UHFFFAOYSA-N
MW274.26 g/mol
LogP2.21
Rot. Bonds9

About 3,5-difluoro-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde

3,5-difluoro-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde (PubChem CID 103178174) has the molecular formula C13H16F2O4 and a molecular weight of 274.26 g/mol. Its IUPAC name is 3,5-difluoro-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde.

Molecular Properties

Compound Name3,5-difluoro-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde
PubChem CID103178174
Molecular FormulaC13H16F2O4
Molecular Weight274.26 g/mol
Exact Mass274.10
IUPAC Name3,5-difluoro-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde
SMILESCOCCCOCCOc1c(F)cc(C=O)cc1F
InChIInChI=1S/C13H16F2O4/c1-17-3-2-4-18-5-6-19-13-11(14)7-10(9-16)8-12(13)15/h7-9H,2-6H2,1H3
InChIKeyCGPADOWDEYHUHO-UHFFFAOYSA-N
XLogP2.21
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-butoxy-3,5-difluorobenzaldehyde
CID 79018256
3,5-dibromo-4-[3-(2-methoxyethoxy)propoxy]benzaldehyde
CID 107738282
3-fluoro-2-[2-(3-methoxypropoxy)ethoxy]benzaldehyde
CID 103179950
2-[2-(3-methoxypropoxy)ethoxy]pyrimidine-5-carbaldehyde
CID 103178190
4-(3,3-dimethylbutoxy)-3,5-difluorobenzaldehyde
CID 79892136
3-methoxy-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde
CID 103179915
4-(2,6-difluoro-4-formylphenoxy)-N,N-dimethylbutanamide
CID 79891319
5-(chloromethyl)-1,3-difluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
CID 104564276
methyl 2-(2,6-difluoro-4-formylphenoxy)acetate
CID 79891826
2,6-difluoro-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzaldehyde
CID 118455142
3,5-dimethyl-4-(2-propoxyethoxy)benzaldehyde
CID 106453020
3,5-difluoro-4-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide
CID 103402805

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde?
The IUPAC name of 3,5-difluoro-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde (CID 103178174) is 3,5-difluoro-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde.
What is the SMILES notation for 3,5-difluoro-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde?
The canonical SMILES for 3,5-difluoro-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde is COCCCOCCOc1c(F)cc(C=O)cc1F.
What is the InChIKey of 3,5-difluoro-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde?
The InChIKey is CGPADOWDEYHUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2O4/c1-17-3-2-4-18-5-6-19-13-11(14)7-10(9-16)8-12(13)15/h7-9H,2-6H2,1H3.
What are the key properties of 3,5-difluoro-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde?
3,5-difluoro-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde has a molecular weight of 274.26 g/mol, XLogP of 2.21, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde is sourced from PubChem (CID 103178174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).