2,5-difluoro-6-methoxy-3,4-bis(2-methoxyethoxy)benzaldehyde

C14H18F2O6 — CID 160552071

IUPAC2,5-difluoro-6-methoxy-3,4-bis(2-methoxyethoxy)benzaldehyde
SMILESCOCCOc1c(F)c(C=O)c(OC)c(F)c1OCCOC
InChIInChI=1S/C14H18F2O6/c1-18-4-6-21-13-10(15)9(8-17)12(20-3)11(16)14(13)22-7-5-19-2/h8H,4-7H2,1-3H3
InChIKeyQYFASHGIKPUNCZ-UHFFFAOYSA-N
MW320.29 g/mol
LogP1.84
Rot. Bonds10

About 2,5-difluoro-6-methoxy-3,4-bis(2-methoxyethoxy)benzaldehyde

2,5-difluoro-6-methoxy-3,4-bis(2-methoxyethoxy)benzaldehyde (PubChem CID 160552071) has the molecular formula C14H18F2O6 and a molecular weight of 320.29 g/mol. Its IUPAC name is 2,5-difluoro-6-methoxy-3,4-bis(2-methoxyethoxy)benzaldehyde.

Molecular Properties

Compound Name2,5-difluoro-6-methoxy-3,4-bis(2-methoxyethoxy)benzaldehyde
PubChem CID160552071
Molecular FormulaC14H18F2O6
Molecular Weight320.29 g/mol
Exact Mass320.11
IUPAC Name2,5-difluoro-6-methoxy-3,4-bis(2-methoxyethoxy)benzaldehyde
SMILESCOCCOc1c(F)c(C=O)c(OC)c(F)c1OCCOC
InChIInChI=1S/C14H18F2O6/c1-18-4-6-21-13-10(15)9(8-17)12(20-3)11(16)14(13)22-7-5-19-2/h8H,4-7H2,1-3H3
InChIKeyQYFASHGIKPUNCZ-UHFFFAOYSA-N
XLogP1.84
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.29
LogP ≤ 51.84
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

2,3,5,6-tetrafluoro-4-methoxybenzaldehyde
CID 91620939
2-bromo-3,4,6-trifluoro-5-methoxybenzaldehyde
CID 174784326
2,6-difluoro-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzaldehyde
CID 118455142
2-chloro-6-fluoro-3-(2-methoxyethoxy)benzaldehyde
CID 59803816
2-fluoro-4,5-dihydroxy-3-methoxy-6-methylbenzaldehyde
CID 170993665
3,5-difluoro-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde
CID 103178174
2-methoxy-N-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]ethanamine
CID 55092755
3,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]cyclobut-3-ene-1,2-dione
CID 169054321
2-[2-(2-methoxyethoxy)ethoxy]-3,5-dimethylbenzaldehyde
CID 155578590
(E)-3-[3-fluoro-2-(2-methoxyethoxy)phenyl]prop-2-enoic acid
CID 112614242
2,5-difluoro-3,4-bis(methoxymethoxy)benzaldehyde
CID 54157105
2-(2-methoxyethoxy)-3-propoxybenzaldehyde
CID 86623125

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-6-methoxy-3,4-bis(2-methoxyethoxy)benzaldehyde?
The IUPAC name of 2,5-difluoro-6-methoxy-3,4-bis(2-methoxyethoxy)benzaldehyde (CID 160552071) is 2,5-difluoro-6-methoxy-3,4-bis(2-methoxyethoxy)benzaldehyde.
What is the SMILES notation for 2,5-difluoro-6-methoxy-3,4-bis(2-methoxyethoxy)benzaldehyde?
The canonical SMILES for 2,5-difluoro-6-methoxy-3,4-bis(2-methoxyethoxy)benzaldehyde is COCCOc1c(F)c(C=O)c(OC)c(F)c1OCCOC.
What is the InChIKey of 2,5-difluoro-6-methoxy-3,4-bis(2-methoxyethoxy)benzaldehyde?
The InChIKey is QYFASHGIKPUNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2O6/c1-18-4-6-21-13-10(15)9(8-17)12(20-3)11(16)14(13)22-7-5-19-2/h8H,4-7H2,1-3H3.
What are the key properties of 2,5-difluoro-6-methoxy-3,4-bis(2-methoxyethoxy)benzaldehyde?
2,5-difluoro-6-methoxy-3,4-bis(2-methoxyethoxy)benzaldehyde has a molecular weight of 320.29 g/mol, XLogP of 1.84, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-6-methoxy-3,4-bis(2-methoxyethoxy)benzaldehyde is sourced from PubChem (CID 160552071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).