2-[4-[(Z)-2-(2-bromo-4-fluorophenyl)ethenyl]-2,3-difluorophenyl]-1,3-dioxolane

C17H12BrF3O2 — CID 167713795

IUPAC2-[4-[(Z)-2-(2-bromo-4-fluorophenyl)ethenyl]-2,3-difluorophenyl]-1,3-dioxolane
SMILESFc1ccc(/C=C\c2ccc(C3OCCO3)c(F)c2F)c(Br)c1
InChIInChI=1S/C17H12BrF3O2/c18-14-9-12(19)5-3-10(14)1-2-11-4-6-13(16(21)15(11)20)17-22-7-8-23-17/h1-6,9,17H,7-8H2/b2-1-
InChIKeyAFOORSNONSRVHY-UPHRSURJSA-N
MW385.18 g/mol
LogP5.08
Rot. Bonds3

About 2-[4-[(Z)-2-(2-bromo-4-fluorophenyl)ethenyl]-2,3-difluorophenyl]-1,3-dioxolane

2-[4-[(Z)-2-(2-bromo-4-fluorophenyl)ethenyl]-2,3-difluorophenyl]-1,3-dioxolane (PubChem CID 167713795) has the molecular formula C17H12BrF3O2 and a molecular weight of 385.18 g/mol. Its IUPAC name is 2-[4-[(Z)-2-(2-bromo-4-fluorophenyl)ethenyl]-2,3-difluorophenyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[4-[(Z)-2-(2-bromo-4-fluorophenyl)ethenyl]-2,3-difluorophenyl]-1,3-dioxolane
PubChem CID167713795
Molecular FormulaC17H12BrF3O2
Molecular Weight385.18 g/mol
Exact Mass384.00
IUPAC Name2-[4-[(Z)-2-(2-bromo-4-fluorophenyl)ethenyl]-2,3-difluorophenyl]-1,3-dioxolane
SMILESFc1ccc(/C=C\c2ccc(C3OCCO3)c(F)c2F)c(Br)c1
InChIInChI=1S/C17H12BrF3O2/c18-14-9-12(19)5-3-10(14)1-2-11-4-6-13(16(21)15(11)20)17-22-7-8-23-17/h1-6,9,17H,7-8H2/b2-1-
InChIKeyAFOORSNONSRVHY-UPHRSURJSA-N
XLogP5.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.18
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[4-[(Z)-2-(2-bromo-4-fluorophenyl)ethenyl]-2,3-difluorophenyl]-1,3-dioxolane with MolForge

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Related Compounds

2-(3-Bromophenyl)-1,3-dioxolane
CID 87306
2-(2-Bromophenyl)-1,3-dioxolane
CID 553534
1,3-Dioxolane, 2-(3-bromo-4-fluorophenyl)-
CID 10977765
2-(4-(Bromomethyl)phenyl)-1,3-dioxolane
CID 12134349
2-(4-Bromophenyl)-1,3-dioxolane
CID 2773842
2-Bromo-1-(diethoxymethyl)-4-fluorobenzene
CID 18357605
2-(4-Bromo-3-fluorophenyl)-1,3-dioxolane
CID 131524181
1-Bromo-2-(dimethoxymethyl)-4-fluorobenzene
CID 25189388
2-(2-Bromo-4-fluorophenyl)-1,3-dioxolane
CID 66510852
2-[2-Bromo-5-(trifluoromethyl)phenyl]-1,3-dioxolane
CID 102433052
2-(2-Bromophenyl)-2-methyl-1,3-dioxolane
CID 615284
2-[(Z)-2-(2-bromophenyl)ethenyl]-2-phenyl-1,3-dioxolane
CID 54611351

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-2-(2-bromo-4-fluorophenyl)ethenyl]-2,3-difluorophenyl]-1,3-dioxolane?
The IUPAC name of 2-[4-[(Z)-2-(2-bromo-4-fluorophenyl)ethenyl]-2,3-difluorophenyl]-1,3-dioxolane (CID 167713795) is 2-[4-[(Z)-2-(2-bromo-4-fluorophenyl)ethenyl]-2,3-difluorophenyl]-1,3-dioxolane.
What is the SMILES notation for 2-[4-[(Z)-2-(2-bromo-4-fluorophenyl)ethenyl]-2,3-difluorophenyl]-1,3-dioxolane?
The canonical SMILES for 2-[4-[(Z)-2-(2-bromo-4-fluorophenyl)ethenyl]-2,3-difluorophenyl]-1,3-dioxolane is Fc1ccc(/C=C\c2ccc(C3OCCO3)c(F)c2F)c(Br)c1.
What is the InChIKey of 2-[4-[(Z)-2-(2-bromo-4-fluorophenyl)ethenyl]-2,3-difluorophenyl]-1,3-dioxolane?
The InChIKey is AFOORSNONSRVHY-UPHRSURJSA-N. The full InChI is InChI=1S/C17H12BrF3O2/c18-14-9-12(19)5-3-10(14)1-2-11-4-6-13(16(21)15(11)20)17-22-7-8-23-17/h1-6,9,17H,7-8H2/b2-1-.
What are the key properties of 2-[4-[(Z)-2-(2-bromo-4-fluorophenyl)ethenyl]-2,3-difluorophenyl]-1,3-dioxolane?
2-[4-[(Z)-2-(2-bromo-4-fluorophenyl)ethenyl]-2,3-difluorophenyl]-1,3-dioxolane has a molecular weight of 385.18 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-2-(2-bromo-4-fluorophenyl)ethenyl]-2,3-difluorophenyl]-1,3-dioxolane is sourced from PubChem (CID 167713795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).