4-fluoro-3-methoxy-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]benzaldehyde;methoxymethane

C18H26BFO5 — CID 144699686

IUPAC4-fluoro-3-methoxy-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]benzaldehyde;methoxymethane
SMILESCOC.COc1cc(C=O)cc(/C=C/B2OC(C)(C)C(C)(C)O2)c1F
InChIInChI=1S/C16H20BFO4.C2H6O/c1-15(2)16(3,4)22-17(21-15)7-6-12-8-11(10-19)9-13(20-5)14(12)18;1-3-2/h6-10H,1-5H3;1-2H3/b7-6+;
InChIKeyIUDPAWRQEWRARJ-UHDJGPCESA-N
MW352.21 g/mol
LogP3.55
Rot. Bonds4

About 4-fluoro-3-methoxy-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]benzaldehyde;methoxymethane

4-fluoro-3-methoxy-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]benzaldehyde;methoxymethane (PubChem CID 144699686) has the molecular formula C18H26BFO5 and a molecular weight of 352.21 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]benzaldehyde;methoxymethane.

Molecular Properties

Compound Name4-fluoro-3-methoxy-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]benzaldehyde;methoxymethane
PubChem CID144699686
Molecular FormulaC18H26BFO5
Molecular Weight352.21 g/mol
Exact Mass352.19
IUPAC Name4-fluoro-3-methoxy-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]benzaldehyde;methoxymethane
SMILESCOC.COc1cc(C=O)cc(/C=C/B2OC(C)(C)C(C)(C)O2)c1F
InChIInChI=1S/C16H20BFO4.C2H6O/c1-15(2)16(3,4)22-17(21-15)7-6-12-8-11(10-19)9-13(20-5)14(12)18;1-3-2/h6-10H,1-5H3;1-2H3/b7-6+;
InChIKeyIUDPAWRQEWRARJ-UHDJGPCESA-N
XLogP3.55
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.21
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-fluoro-3-methoxy-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]benzoate
CID 90419139
2-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102523511
3-fluoro-2,6-dimethyl-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
CID 74888595
[2-methoxy-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenoxy]-trimethylsilane
CID 167723396
2-fluoro-4-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
CID 164892346
2-methoxy-5-methyl-3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
CID 74890789
4,4,5,5-tetramethyl-2-[(E)-2-(2-methylphenyl)ethenyl]-1,3,2-dioxaborolane
CID 23088099
2-fluoro-6-methyl-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-3-amine
CID 74789526
5-fluoro-3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1H-pyridine-2-thione
CID 74789057
4-bromo-2-fluoro-6-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenol
CID 175521175
2,4-difluoro-5-methoxy-3-trimethylsilylbenzaldehyde
CID 14114204
3-(3,4-difluoro-5-methoxyphenyl)prop-2-enal
CID 169459337

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxy-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]benzaldehyde;methoxymethane?
The IUPAC name of 4-fluoro-3-methoxy-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]benzaldehyde;methoxymethane (CID 144699686) is 4-fluoro-3-methoxy-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]benzaldehyde;methoxymethane.
What is the SMILES notation for 4-fluoro-3-methoxy-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]benzaldehyde;methoxymethane?
The canonical SMILES for 4-fluoro-3-methoxy-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]benzaldehyde;methoxymethane is COC.COc1cc(C=O)cc(/C=C/B2OC(C)(C)C(C)(C)O2)c1F.
What is the InChIKey of 4-fluoro-3-methoxy-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]benzaldehyde;methoxymethane?
The InChIKey is IUDPAWRQEWRARJ-UHDJGPCESA-N. The full InChI is InChI=1S/C16H20BFO4.C2H6O/c1-15(2)16(3,4)22-17(21-15)7-6-12-8-11(10-19)9-13(20-5)14(12)18;1-3-2/h6-10H,1-5H3;1-2H3/b7-6+;.
What are the key properties of 4-fluoro-3-methoxy-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]benzaldehyde;methoxymethane?
4-fluoro-3-methoxy-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]benzaldehyde;methoxymethane has a molecular weight of 352.21 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methoxy-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]benzaldehyde;methoxymethane is sourced from PubChem (CID 144699686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).