2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-phenyl-1,3-dioxolane

C17H13F5O2 — CID 102578523

IUPAC2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-phenyl-1,3-dioxolane
SMILESFC(F)(F)C(F)(F)c1cccc(C2(c3ccccc3)OCCO2)c1
InChIInChI=1S/C17H13F5O2/c18-16(19,17(20,21)22)14-8-4-7-13(11-14)15(23-9-10-24-15)12-5-2-1-3-6-12/h1-8,11H,9-10H2
InChIKeyHJZRBOVCGWBGQL-UHFFFAOYSA-N
MW344.28 g/mol
LogP4.59
Rot. Bonds3

About 2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-phenyl-1,3-dioxolane

2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-phenyl-1,3-dioxolane (PubChem CID 102578523) has the molecular formula C17H13F5O2 and a molecular weight of 344.28 g/mol. Its IUPAC name is 2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-phenyl-1,3-dioxolane.

Molecular Properties

Compound Name2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-phenyl-1,3-dioxolane
PubChem CID102578523
Molecular FormulaC17H13F5O2
Molecular Weight344.28 g/mol
Exact Mass344.08
IUPAC Name2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-phenyl-1,3-dioxolane
SMILESFC(F)(F)C(F)(F)c1cccc(C2(c3ccccc3)OCCO2)c1
InChIInChI=1S/C17H13F5O2/c18-16(19,17(20,21)22)14-8-4-7-13(11-14)15(23-9-10-24-15)12-5-2-1-3-6-12/h1-8,11H,9-10H2
InChIKeyHJZRBOVCGWBGQL-UHFFFAOYSA-N
XLogP4.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.28
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-2-phenyl-1,3-dioxolane
CID 138006
Benzoin ethylene ketal
CID 243623
2,5-Dimethoxy-2,5-diphenyl-1,4-dioxane
CID 5059104
1,4-Dioxaspiro[4.5]decane, 2-phenyl-
CID 97830
2-Methyl-2-[4-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]ditellanyl]phenyl]-1,3-dioxolane
CID 13068972
3-[3-(4-Fluorophenyl)phenyl]-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
CID 72205798
3-[4-[3-(Trifluoromethyl)phenyl]phenyl]-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
CID 72206181
2-Methyl-2-[3-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]ditellanyl]phenyl]-1,3-dioxolane
CID 155538832
2-Methyl-2-[2-[[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]ditellanyl]phenyl]-1,3-dioxolane
CID 23162638
2,2-Diphenyldioxolane
CID 283230
2,2-Dimethyl-4-phenyl-1,3-dioxolane
CID 537869
3-[3-(3-Fluorophenyl)phenyl]-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
CID 72205619

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-phenyl-1,3-dioxolane?
The IUPAC name of 2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-phenyl-1,3-dioxolane (CID 102578523) is 2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-phenyl-1,3-dioxolane.
What is the SMILES notation for 2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-phenyl-1,3-dioxolane?
The canonical SMILES for 2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-phenyl-1,3-dioxolane is FC(F)(F)C(F)(F)c1cccc(C2(c3ccccc3)OCCO2)c1.
What is the InChIKey of 2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-phenyl-1,3-dioxolane?
The InChIKey is HJZRBOVCGWBGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F5O2/c18-16(19,17(20,21)22)14-8-4-7-13(11-14)15(23-9-10-24-15)12-5-2-1-3-6-12/h1-8,11H,9-10H2.
What are the key properties of 2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-phenyl-1,3-dioxolane?
2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-phenyl-1,3-dioxolane has a molecular weight of 344.28 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-phenyl-1,3-dioxolane is sourced from PubChem (CID 102578523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).