(3S)-3-fluoro-5,5-diphenyloxolan-2-one

C16H13FO2 — CID 155935678

IUPAC(3S)-3-fluoro-5,5-diphenyloxolan-2-one
SMILESO=C1OC(c2ccccc2)(c2ccccc2)C[C@@H]1F
InChIInChI=1S/C16H13FO2/c17-14-11-16(19-15(14)18,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2/t14-/m0/s1
InChIKeyPXJHTQXKBLMATI-AWEZNQCLSA-N
MW256.28 g/mol
LogP3.22
Rot. Bonds2

About (3S)-3-fluoro-5,5-diphenyloxolan-2-one

(3S)-3-fluoro-5,5-diphenyloxolan-2-one (PubChem CID 155935678) has the molecular formula C16H13FO2 and a molecular weight of 256.28 g/mol. Its IUPAC name is (3S)-3-fluoro-5,5-diphenyloxolan-2-one.

Molecular Properties

Compound Name(3S)-3-fluoro-5,5-diphenyloxolan-2-one
PubChem CID155935678
Molecular FormulaC16H13FO2
Molecular Weight256.28 g/mol
Exact Mass256.09
IUPAC Name(3S)-3-fluoro-5,5-diphenyloxolan-2-one
SMILESO=C1OC(c2ccccc2)(c2ccccc2)C[C@@H]1F
InChIInChI=1S/C16H13FO2/c17-14-11-16(19-15(14)18,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2/t14-/m0/s1
InChIKeyPXJHTQXKBLMATI-AWEZNQCLSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzyl phenylacetate
CID 60999
gamma-Phenyl-gamma-butyrolactone
CID 13884
Mls002608257
CID 237296
Dibenzyl sebacate
CID 8790
3-Methyl-3-phenylphthalide
CID 239990
1(3H)-Isobenzofuranone, 3-phenyl-3-(phenylmethyl)-
CID 290626
5-(Iodomethyl)-3-methylidene-5-phenyloxolan-2-one
CID 11289970
(5R)-5-(bromomethyl)-3-methylidene-5-phenyloxolan-2-one
CID 148324544
5-(Bromomethyl)-3-methylidene-5-phenyloxolan-2-one
CID 148324545
5-(Bromomethyl)-5-(4-fluorophenyl)-3-methylideneoxolan-2-one
CID 148617041
5-[Bromo(phenyl)methyl]-3-methylidene-5-phenyloxolan-2-one
CID 153021469
2(3H)-Furanone, dihydro-3-methylene-5-phenyl-
CID 176437

Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoro-5,5-diphenyloxolan-2-one?
The IUPAC name of (3S)-3-fluoro-5,5-diphenyloxolan-2-one (CID 155935678) is (3S)-3-fluoro-5,5-diphenyloxolan-2-one.
What is the SMILES notation for (3S)-3-fluoro-5,5-diphenyloxolan-2-one?
The canonical SMILES for (3S)-3-fluoro-5,5-diphenyloxolan-2-one is O=C1OC(c2ccccc2)(c2ccccc2)C[C@@H]1F.
What is the InChIKey of (3S)-3-fluoro-5,5-diphenyloxolan-2-one?
The InChIKey is PXJHTQXKBLMATI-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H13FO2/c17-14-11-16(19-15(14)18,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2/t14-/m0/s1.
What are the key properties of (3S)-3-fluoro-5,5-diphenyloxolan-2-one?
(3S)-3-fluoro-5,5-diphenyloxolan-2-one has a molecular weight of 256.28 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoro-5,5-diphenyloxolan-2-one is sourced from PubChem (CID 155935678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).