2-(2,3,4-trifluorophenyl)-1,3-dioxolane

C9H7F3O2 — CID 86727231

IUPAC2-(2,3,4-trifluorophenyl)-1,3-dioxolane
SMILESFc1ccc(C2OCCO2)c(F)c1F
InChIInChI=1S/C9H7F3O2/c10-6-2-1-5(7(11)8(6)12)9-13-3-4-14-9/h1-2,9H,3-4H2
InChIKeyHLLWNWWVODMCEP-UHFFFAOYSA-N
MW204.15 g/mol
LogP2.15
Rot. Bonds1

About 2-(2,3,4-trifluorophenyl)-1,3-dioxolane

2-(2,3,4-trifluorophenyl)-1,3-dioxolane (PubChem CID 86727231) has the molecular formula C9H7F3O2 and a molecular weight of 204.15 g/mol. Its IUPAC name is 2-(2,3,4-trifluorophenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(2,3,4-trifluorophenyl)-1,3-dioxolane
PubChem CID86727231
Molecular FormulaC9H7F3O2
Molecular Weight204.15 g/mol
Exact Mass204.04
IUPAC Name2-(2,3,4-trifluorophenyl)-1,3-dioxolane
SMILESFc1ccc(C2OCCO2)c(F)c1F
InChIInChI=1S/C9H7F3O2/c10-6-2-1-5(7(11)8(6)12)9-13-3-4-14-9/h1-2,9H,3-4H2
InChIKeyHLLWNWWVODMCEP-UHFFFAOYSA-N
XLogP2.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', '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
2-Benzyl-1,3-dioxolane
CID 7562
1,3-Dioxolane-4-methanol, 2-phenyl-
CID 15572
1,3-Dioxolane, 2-methyl-4-phenyl-
CID 118119
4-Methylbenzaldehyde propyleneglycol acetal
CID 94001
2-Phenyl-1,3-dioxolane
CID 70293
2-Phenyl-1,3-dioxane
CID 69874
2-Methyl-2-phenyl-1,3-dioxolane
CID 138006
4-Phenyl-1,3-dioxolane
CID 70634

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4-trifluorophenyl)-1,3-dioxolane?
The IUPAC name of 2-(2,3,4-trifluorophenyl)-1,3-dioxolane (CID 86727231) is 2-(2,3,4-trifluorophenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(2,3,4-trifluorophenyl)-1,3-dioxolane?
The canonical SMILES for 2-(2,3,4-trifluorophenyl)-1,3-dioxolane is Fc1ccc(C2OCCO2)c(F)c1F.
What is the InChIKey of 2-(2,3,4-trifluorophenyl)-1,3-dioxolane?
The InChIKey is HLLWNWWVODMCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3O2/c10-6-2-1-5(7(11)8(6)12)9-13-3-4-14-9/h1-2,9H,3-4H2.
What are the key properties of 2-(2,3,4-trifluorophenyl)-1,3-dioxolane?
2-(2,3,4-trifluorophenyl)-1,3-dioxolane has a molecular weight of 204.15 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4-trifluorophenyl)-1,3-dioxolane is sourced from PubChem (CID 86727231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).