(2R,3R)-3-fluoro-2-phenyl-2-(2-phenylethynyl)oxolane

C18H15FO — CID 53242538

IUPAC(2R,3R)-3-fluoro-2-phenyl-2-(2-phenylethynyl)oxolane
SMILESF[C@@H]1CCO[C@@]1(C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H15FO/c19-17-12-14-20-18(17,16-9-5-2-6-10-16)13-11-15-7-3-1-4-8-15/h1-10,17H,12,14H2/t17-,18+/m1/s1
InChIKeyBDQDAANIITZVAI-MSOLQXFVSA-N
MW266.31 g/mol
LogP3.69
Rot. Bonds1

About (2R,3R)-3-fluoro-2-phenyl-2-(2-phenylethynyl)oxolane

(2R,3R)-3-fluoro-2-phenyl-2-(2-phenylethynyl)oxolane (PubChem CID 53242538) has the molecular formula C18H15FO and a molecular weight of 266.31 g/mol. Its IUPAC name is (2R,3R)-3-fluoro-2-phenyl-2-(2-phenylethynyl)oxolane.

Molecular Properties

Compound Name(2R,3R)-3-fluoro-2-phenyl-2-(2-phenylethynyl)oxolane
PubChem CID53242538
Molecular FormulaC18H15FO
Molecular Weight266.31 g/mol
Exact Mass266.11
IUPAC Name(2R,3R)-3-fluoro-2-phenyl-2-(2-phenylethynyl)oxolane
SMILESF[C@@H]1CCO[C@@]1(C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H15FO/c19-17-12-14-20-18(17,16-9-5-2-6-10-16)13-11-15-7-3-1-4-8-15/h1-10,17H,12,14H2/t17-,18+/m1/s1
InChIKeyBDQDAANIITZVAI-MSOLQXFVSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-fluoro-2-phenyl-2-(2-phenylethynyl)oxolane?
The IUPAC name of (2R,3R)-3-fluoro-2-phenyl-2-(2-phenylethynyl)oxolane (CID 53242538) is (2R,3R)-3-fluoro-2-phenyl-2-(2-phenylethynyl)oxolane.
What is the SMILES notation for (2R,3R)-3-fluoro-2-phenyl-2-(2-phenylethynyl)oxolane?
The canonical SMILES for (2R,3R)-3-fluoro-2-phenyl-2-(2-phenylethynyl)oxolane is F[C@@H]1CCO[C@@]1(C#Cc1ccccc1)c1ccccc1.
What is the InChIKey of (2R,3R)-3-fluoro-2-phenyl-2-(2-phenylethynyl)oxolane?
The InChIKey is BDQDAANIITZVAI-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H15FO/c19-17-12-14-20-18(17,16-9-5-2-6-10-16)13-11-15-7-3-1-4-8-15/h1-10,17H,12,14H2/t17-,18+/m1/s1.
What are the key properties of (2R,3R)-3-fluoro-2-phenyl-2-(2-phenylethynyl)oxolane?
(2R,3R)-3-fluoro-2-phenyl-2-(2-phenylethynyl)oxolane has a molecular weight of 266.31 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-fluoro-2-phenyl-2-(2-phenylethynyl)oxolane is sourced from PubChem (CID 53242538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).