2-[2-[2-(2,3,4,5-tetrafluorophenyl)ethenyl]phenyl]-1,3-dioxolane

C17H12F4O2 — CID 172880348

IUPAC2-[2-[2-(2,3,4,5-tetrafluorophenyl)ethenyl]phenyl]-1,3-dioxolane
SMILESFc1cc(C=Cc2ccccc2C2OCCO2)c(F)c(F)c1F
InChIInChI=1S/C17H12F4O2/c18-13-9-11(14(19)16(21)15(13)20)6-5-10-3-1-2-4-12(10)17-22-7-8-23-17/h1-6,9,17H,7-8H2
InChIKeyRCFIQZPAFCPYDV-UHFFFAOYSA-N
MW324.27 g/mol
LogP4.46
Rot. Bonds3

About 2-[2-[2-(2,3,4,5-tetrafluorophenyl)ethenyl]phenyl]-1,3-dioxolane

2-[2-[2-(2,3,4,5-tetrafluorophenyl)ethenyl]phenyl]-1,3-dioxolane (PubChem CID 172880348) has the molecular formula C17H12F4O2 and a molecular weight of 324.27 g/mol. Its IUPAC name is 2-[2-[2-(2,3,4,5-tetrafluorophenyl)ethenyl]phenyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-[2-(2,3,4,5-tetrafluorophenyl)ethenyl]phenyl]-1,3-dioxolane
PubChem CID172880348
Molecular FormulaC17H12F4O2
Molecular Weight324.27 g/mol
Exact Mass324.08
IUPAC Name2-[2-[2-(2,3,4,5-tetrafluorophenyl)ethenyl]phenyl]-1,3-dioxolane
SMILESFc1cc(C=Cc2ccccc2C2OCCO2)c(F)c(F)c1F
InChIInChI=1S/C17H12F4O2/c18-13-9-11(14(19)16(21)15(13)20)6-5-10-3-1-2-4-12(10)17-22-7-8-23-17/h1-6,9,17H,7-8H2
InChIKeyRCFIQZPAFCPYDV-UHFFFAOYSA-N
XLogP4.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-Phenyl-1,3-dioxolane
CID 70293
1,3-Dimethoxyphthalan
CID 11629690
2,2-Diphenyldioxolane
CID 283230
1,2,4-Trioxolane, 3,5-diphenyl-
CID 141056
1,3-Dioxolane, 4-phenyl-2-(phenylmethyl)-
CID 97838
1,3-Dioxolane, 2,2'-(tellurodi-2,1-phenylene)bis-
CID 3059910
2-Phenyl-2-(O-tolyl)-1,3-dioxolane
CID 3492377
2-(4-Fluorophenyl)-1,3-dioxolane
CID 5074752
2-(3,4-Difluorophenyl)-1,3-dioxolane
CID 24721640
2-(2-Fluorophenyl)-2-methyl-1,3-dioxolane
CID 11252353
2-(2-Fluorophenyl)-1,3-dioxolane
CID 11286683
1,3-Dihydro-1-methoxyisobenzofuran
CID 11332556

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2,3,4,5-tetrafluorophenyl)ethenyl]phenyl]-1,3-dioxolane?
The IUPAC name of 2-[2-[2-(2,3,4,5-tetrafluorophenyl)ethenyl]phenyl]-1,3-dioxolane (CID 172880348) is 2-[2-[2-(2,3,4,5-tetrafluorophenyl)ethenyl]phenyl]-1,3-dioxolane.
What is the SMILES notation for 2-[2-[2-(2,3,4,5-tetrafluorophenyl)ethenyl]phenyl]-1,3-dioxolane?
The canonical SMILES for 2-[2-[2-(2,3,4,5-tetrafluorophenyl)ethenyl]phenyl]-1,3-dioxolane is Fc1cc(C=Cc2ccccc2C2OCCO2)c(F)c(F)c1F.
What is the InChIKey of 2-[2-[2-(2,3,4,5-tetrafluorophenyl)ethenyl]phenyl]-1,3-dioxolane?
The InChIKey is RCFIQZPAFCPYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F4O2/c18-13-9-11(14(19)16(21)15(13)20)6-5-10-3-1-2-4-12(10)17-22-7-8-23-17/h1-6,9,17H,7-8H2.
What are the key properties of 2-[2-[2-(2,3,4,5-tetrafluorophenyl)ethenyl]phenyl]-1,3-dioxolane?
2-[2-[2-(2,3,4,5-tetrafluorophenyl)ethenyl]phenyl]-1,3-dioxolane has a molecular weight of 324.27 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2,3,4,5-tetrafluorophenyl)ethenyl]phenyl]-1,3-dioxolane is sourced from PubChem (CID 172880348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).