(2S,3R)-3-fluoro-2-(4-phenylphenyl)oxolane

C16H15FO — CID 72708027

IUPAC(2S,3R)-3-fluoro-2-(4-phenylphenyl)oxolane
SMILESF[C@@H]1CCO[C@H]1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H15FO/c17-15-10-11-18-16(15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15-16H,10-11H2/t15-,16+/m1/s1
InChIKeyKXQGAAAHBMVNDJ-CVEARBPZSA-N
MW242.29 g/mol
LogP4.15
Rot. Bonds2

About (2S,3R)-3-fluoro-2-(4-phenylphenyl)oxolane

(2S,3R)-3-fluoro-2-(4-phenylphenyl)oxolane (PubChem CID 72708027) has the molecular formula C16H15FO and a molecular weight of 242.29 g/mol. Its IUPAC name is (2S,3R)-3-fluoro-2-(4-phenylphenyl)oxolane.

Molecular Properties

Compound Name(2S,3R)-3-fluoro-2-(4-phenylphenyl)oxolane
PubChem CID72708027
Molecular FormulaC16H15FO
Molecular Weight242.29 g/mol
Exact Mass242.11
IUPAC Name(2S,3R)-3-fluoro-2-(4-phenylphenyl)oxolane
SMILESF[C@@H]1CCO[C@H]1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H15FO/c17-15-10-11-18-16(15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15-16H,10-11H2/t15-,16+/m1/s1
InChIKeyKXQGAAAHBMVNDJ-CVEARBPZSA-N
XLogP4.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-fluoro-2-(4-phenylphenyl)oxolane?
The IUPAC name of (2S,3R)-3-fluoro-2-(4-phenylphenyl)oxolane (CID 72708027) is (2S,3R)-3-fluoro-2-(4-phenylphenyl)oxolane.
What is the SMILES notation for (2S,3R)-3-fluoro-2-(4-phenylphenyl)oxolane?
The canonical SMILES for (2S,3R)-3-fluoro-2-(4-phenylphenyl)oxolane is F[C@@H]1CCO[C@H]1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2S,3R)-3-fluoro-2-(4-phenylphenyl)oxolane?
The InChIKey is KXQGAAAHBMVNDJ-CVEARBPZSA-N. The full InChI is InChI=1S/C16H15FO/c17-15-10-11-18-16(15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15-16H,10-11H2/t15-,16+/m1/s1.
What are the key properties of (2S,3R)-3-fluoro-2-(4-phenylphenyl)oxolane?
(2S,3R)-3-fluoro-2-(4-phenylphenyl)oxolane has a molecular weight of 242.29 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-fluoro-2-(4-phenylphenyl)oxolane is sourced from PubChem (CID 72708027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).