1-[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]-4-methoxybenzene

C13H16F2O4 — CID 102301219

IUPAC1-[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]-4-methoxybenzene
SMILESCOCCOCOC(=C(F)F)c1ccc(OC)cc1
InChIInChI=1S/C13H16F2O4/c1-16-7-8-18-9-19-12(13(14)15)10-3-5-11(17-2)6-4-10/h3-6H,7-9H2,1-2H3
InChIKeyKCKRPMVGQBBIKQ-UHFFFAOYSA-N
MW274.26 g/mol
LogP2.90
Rot. Bonds8

About 1-[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]-4-methoxybenzene

1-[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]-4-methoxybenzene (PubChem CID 102301219) has the molecular formula C13H16F2O4 and a molecular weight of 274.26 g/mol. Its IUPAC name is 1-[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]-4-methoxybenzene
PubChem CID102301219
Molecular FormulaC13H16F2O4
Molecular Weight274.26 g/mol
Exact Mass274.10
IUPAC Name1-[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]-4-methoxybenzene
SMILESCOCCOCOC(=C(F)F)c1ccc(OC)cc1
InChIInChI=1S/C13H16F2O4/c1-16-7-8-18-9-19-12(13(14)15)10-3-5-11(17-2)6-4-10/h3-6H,7-9H2,1-2H3
InChIKeyKCKRPMVGQBBIKQ-UHFFFAOYSA-N
XLogP2.90
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

Analyze 1-[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]-4-methoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2,2-difluoro-1-(methoxymethoxy)ethenyl]-4-methoxybenzene
CID 102291968
2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-methoxybenzoate
CID 154279201
2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-formylbenzoate
CID 130305051
1-methoxy-4-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 102074732
4-(2-methoxyethoxymethoxy)phenol
CID 21223145
4-methoxy-N-(4-methoxybutyl)benzamide
CID 110417955
2-methoxyethoxymethyl benzoate
CID 11275823
ethyl (Z)-2,3-difluoro-4-(4-methoxyphenyl)-4-oxobut-2-enoate
CID 102175200
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-[1,2,2-tris[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethenyl]benzene
CID 102529965
S-(2-methoxyethyl) 4-methoxybenzenecarbothioate
CID 121219372
2-methoxyethyl N,N-diethyl-N'-(4-methoxybenzoyl)carbamimidate
CID 7271101
6-(2-methoxyethoxymethoxy)-N-methylnaphthalene-2-carboxamide
CID 141090220

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]-4-methoxybenzene?
The IUPAC name of 1-[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]-4-methoxybenzene (CID 102301219) is 1-[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]-4-methoxybenzene.
What is the SMILES notation for 1-[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]-4-methoxybenzene?
The canonical SMILES for 1-[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]-4-methoxybenzene is COCCOCOC(=C(F)F)c1ccc(OC)cc1.
What is the InChIKey of 1-[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]-4-methoxybenzene?
The InChIKey is KCKRPMVGQBBIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2O4/c1-16-7-8-18-9-19-12(13(14)15)10-3-5-11(17-2)6-4-10/h3-6H,7-9H2,1-2H3.
What are the key properties of 1-[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]-4-methoxybenzene?
1-[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]-4-methoxybenzene has a molecular weight of 274.26 g/mol, XLogP of 2.90, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]-4-methoxybenzene is sourced from PubChem (CID 102301219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).