2-[2-[2-[2-(4-fluorophenyl)ethyl]oxiran-2-yl]propan-2-yl]-1,3-dioxolane

C16H21FO3 — CID 14391717

IUPAC2-[2-[2-[2-(4-fluorophenyl)ethyl]oxiran-2-yl]propan-2-yl]-1,3-dioxolane
SMILESCC(C)(C1OCCO1)C1(CCc2ccc(F)cc2)CO1
InChIInChI=1S/C16H21FO3/c1-15(2,14-18-9-10-19-14)16(11-20-16)8-7-12-3-5-13(17)6-4-12/h3-6,14H,7-11H2,1-2H3
InChIKeyPANYPTHTKRALOP-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.93
Rot. Bonds5

About 2-[2-[2-[2-(4-fluorophenyl)ethyl]oxiran-2-yl]propan-2-yl]-1,3-dioxolane

2-[2-[2-[2-(4-fluorophenyl)ethyl]oxiran-2-yl]propan-2-yl]-1,3-dioxolane (PubChem CID 14391717) has the molecular formula C16H21FO3 and a molecular weight of 280.34 g/mol. Its IUPAC name is 2-[2-[2-[2-(4-fluorophenyl)ethyl]oxiran-2-yl]propan-2-yl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-[2-[2-(4-fluorophenyl)ethyl]oxiran-2-yl]propan-2-yl]-1,3-dioxolane
PubChem CID14391717
Molecular FormulaC16H21FO3
Molecular Weight280.34 g/mol
Exact Mass280.15
IUPAC Name2-[2-[2-[2-(4-fluorophenyl)ethyl]oxiran-2-yl]propan-2-yl]-1,3-dioxolane
SMILESCC(C)(C1OCCO1)C1(CCc2ccc(F)cc2)CO1
InChIInChI=1S/C16H21FO3/c1-15(2,14-18-9-10-19-14)16(11-20-16)8-7-12-3-5-13(17)6-4-12/h3-6,14H,7-11H2,1-2H3
InChIKeyPANYPTHTKRALOP-UHFFFAOYSA-N
XLogP2.93
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(4-fluorophenyl)ethyl]oxiran-2-yl]propan-2-yl]-1,3-dioxolane?
The IUPAC name of 2-[2-[2-[2-(4-fluorophenyl)ethyl]oxiran-2-yl]propan-2-yl]-1,3-dioxolane (CID 14391717) is 2-[2-[2-[2-(4-fluorophenyl)ethyl]oxiran-2-yl]propan-2-yl]-1,3-dioxolane.
What is the SMILES notation for 2-[2-[2-[2-(4-fluorophenyl)ethyl]oxiran-2-yl]propan-2-yl]-1,3-dioxolane?
The canonical SMILES for 2-[2-[2-[2-(4-fluorophenyl)ethyl]oxiran-2-yl]propan-2-yl]-1,3-dioxolane is CC(C)(C1OCCO1)C1(CCc2ccc(F)cc2)CO1.
What is the InChIKey of 2-[2-[2-[2-(4-fluorophenyl)ethyl]oxiran-2-yl]propan-2-yl]-1,3-dioxolane?
The InChIKey is PANYPTHTKRALOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FO3/c1-15(2,14-18-9-10-19-14)16(11-20-16)8-7-12-3-5-13(17)6-4-12/h3-6,14H,7-11H2,1-2H3.
What are the key properties of 2-[2-[2-[2-(4-fluorophenyl)ethyl]oxiran-2-yl]propan-2-yl]-1,3-dioxolane?
2-[2-[2-[2-(4-fluorophenyl)ethyl]oxiran-2-yl]propan-2-yl]-1,3-dioxolane has a molecular weight of 280.34 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(4-fluorophenyl)ethyl]oxiran-2-yl]propan-2-yl]-1,3-dioxolane is sourced from PubChem (CID 14391717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).