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

C17H13BrF2O2 — CID 167713790

IUPAC2-[4-[(Z)-2-(2-bromophenyl)ethenyl]-2,3-difluorophenyl]-1,3-dioxolane
SMILESFc1c(/C=C\c2ccccc2Br)ccc(C2OCCO2)c1F
InChIInChI=1S/C17H13BrF2O2/c18-14-4-2-1-3-11(14)5-6-12-7-8-13(16(20)15(12)19)17-21-9-10-22-17/h1-8,17H,9-10H2/b6-5-
InChIKeyFGGQBBSLZVTTAU-WAYWQWQTSA-N
MW367.19 g/mol
LogP4.94
Rot. Bonds3

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

2-[4-[(Z)-2-(2-bromophenyl)ethenyl]-2,3-difluorophenyl]-1,3-dioxolane (PubChem CID 167713790) has the molecular formula C17H13BrF2O2 and a molecular weight of 367.19 g/mol. Its IUPAC name is 2-[4-[(Z)-2-(2-bromophenyl)ethenyl]-2,3-difluorophenyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[4-[(Z)-2-(2-bromophenyl)ethenyl]-2,3-difluorophenyl]-1,3-dioxolane
PubChem CID167713790
Molecular FormulaC17H13BrF2O2
Molecular Weight367.19 g/mol
Exact Mass366.01
IUPAC Name2-[4-[(Z)-2-(2-bromophenyl)ethenyl]-2,3-difluorophenyl]-1,3-dioxolane
SMILESFc1c(/C=C\c2ccccc2Br)ccc(C2OCCO2)c1F
InChIInChI=1S/C17H13BrF2O2/c18-14-4-2-1-3-11(14)5-6-12-7-8-13(16(20)15(12)19)17-21-9-10-22-17/h1-8,17H,9-10H2/b6-5-
InChIKeyFGGQBBSLZVTTAU-WAYWQWQTSA-N
XLogP4.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.19
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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-bromophenyl)ethenyl]-2,3-difluorophenyl]-1,3-dioxolane?
The IUPAC name of 2-[4-[(Z)-2-(2-bromophenyl)ethenyl]-2,3-difluorophenyl]-1,3-dioxolane (CID 167713790) is 2-[4-[(Z)-2-(2-bromophenyl)ethenyl]-2,3-difluorophenyl]-1,3-dioxolane.
What is the SMILES notation for 2-[4-[(Z)-2-(2-bromophenyl)ethenyl]-2,3-difluorophenyl]-1,3-dioxolane?
The canonical SMILES for 2-[4-[(Z)-2-(2-bromophenyl)ethenyl]-2,3-difluorophenyl]-1,3-dioxolane is Fc1c(/C=C\c2ccccc2Br)ccc(C2OCCO2)c1F.
What is the InChIKey of 2-[4-[(Z)-2-(2-bromophenyl)ethenyl]-2,3-difluorophenyl]-1,3-dioxolane?
The InChIKey is FGGQBBSLZVTTAU-WAYWQWQTSA-N. The full InChI is InChI=1S/C17H13BrF2O2/c18-14-4-2-1-3-11(14)5-6-12-7-8-13(16(20)15(12)19)17-21-9-10-22-17/h1-8,17H,9-10H2/b6-5-.
What are the key properties of 2-[4-[(Z)-2-(2-bromophenyl)ethenyl]-2,3-difluorophenyl]-1,3-dioxolane?
2-[4-[(Z)-2-(2-bromophenyl)ethenyl]-2,3-difluorophenyl]-1,3-dioxolane has a molecular weight of 367.19 g/mol, XLogP of 4.94, 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-bromophenyl)ethenyl]-2,3-difluorophenyl]-1,3-dioxolane is sourced from PubChem (CID 167713790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).