[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]benzene

C12H14F2O3 — CID 56837742

IUPAC[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]benzene
SMILESCOCCOCOC(=C(F)F)c1ccccc1
InChIInChI=1S/C12H14F2O3/c1-15-7-8-16-9-17-11(12(13)14)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKeyLQTYYKQPQJPZME-UHFFFAOYSA-N
MW244.24 g/mol
LogP2.89
Rot. Bonds7

About [2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]benzene

[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]benzene (PubChem CID 56837742) has the molecular formula C12H14F2O3 and a molecular weight of 244.24 g/mol. Its IUPAC name is [2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]benzene.

Molecular Properties

Compound Name[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]benzene
PubChem CID56837742
Molecular FormulaC12H14F2O3
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Name[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]benzene
SMILESCOCCOCOC(=C(F)F)c1ccccc1
InChIInChI=1S/C12H14F2O3/c1-15-7-8-16-9-17-11(12(13)14)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKeyLQTYYKQPQJPZME-UHFFFAOYSA-N
XLogP2.89
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Benzaldehyde dimethyl acetal
CID 62375
Benzaldehyde propylene glycol acetal
CID 595928
(Diethoxymethyl)benzene
CID 69884
1-Benzyloxy-1-(2-methoxyethoxy)ethane
CID 22235151
4-Phenyl-1,3-dioxane
CID 92840
Benzyl hemiformal
CID 84520
2-Phenyl-1,3-dioxolane
CID 70293
1,3-Dioxolane, 2-methyl-4-phenyl-
CID 118119
4-Methylbenzaldehyde propyleneglycol acetal
CID 94001
2-Methyl-2-phenyl-1,3-dioxolane
CID 138006
4-Phenyl-1,3-dioxolane
CID 70634
Trimethyl orthobeznoate
CID 69720

Frequently Asked Questions

What is the IUPAC name of [2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]benzene?
The IUPAC name of [2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]benzene (CID 56837742) is [2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]benzene.
What is the SMILES notation for [2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]benzene?
The canonical SMILES for [2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]benzene is COCCOCOC(=C(F)F)c1ccccc1.
What is the InChIKey of [2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]benzene?
The InChIKey is LQTYYKQPQJPZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O3/c1-15-7-8-16-9-17-11(12(13)14)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3.
What are the key properties of [2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]benzene?
[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]benzene has a molecular weight of 244.24 g/mol, XLogP of 2.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]benzene is sourced from PubChem (CID 56837742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).