(4R,5S)-4,5-diphenyl-5-(trifluoromethyl)oxolan-2-one

C17H13F3O2 — CID 25207990

IUPAC(4R,5S)-4,5-diphenyl-5-(trifluoromethyl)oxolan-2-one
SMILESO=C1C[C@H](c2ccccc2)[C@](c2ccccc2)(C(F)(F)F)O1
InChIInChI=1S/C17H13F3O2/c18-17(19,20)16(13-9-5-2-6-10-13)14(11-15(21)22-16)12-7-3-1-4-8-12/h1-10,14H,11H2/t14-,16-/m1/s1
InChIKeySEMYUNFBRXNNTK-GDBMZVCRSA-N
MW306.28 g/mol
LogP4.17
Rot. Bonds2

About (4R,5S)-4,5-diphenyl-5-(trifluoromethyl)oxolan-2-one

(4R,5S)-4,5-diphenyl-5-(trifluoromethyl)oxolan-2-one (PubChem CID 25207990) has the molecular formula C17H13F3O2 and a molecular weight of 306.28 g/mol. Its IUPAC name is (4R,5S)-4,5-diphenyl-5-(trifluoromethyl)oxolan-2-one.

Molecular Properties

Compound Name(4R,5S)-4,5-diphenyl-5-(trifluoromethyl)oxolan-2-one
PubChem CID25207990
Molecular FormulaC17H13F3O2
Molecular Weight306.28 g/mol
Exact Mass306.09
IUPAC Name(4R,5S)-4,5-diphenyl-5-(trifluoromethyl)oxolan-2-one
SMILESO=C1C[C@H](c2ccccc2)[C@](c2ccccc2)(C(F)(F)F)O1
InChIInChI=1S/C17H13F3O2/c18-17(19,20)16(13-9-5-2-6-10-13)14(11-15(21)22-16)12-7-3-1-4-8-12/h1-10,14H,11H2/t14-,16-/m1/s1
InChIKeySEMYUNFBRXNNTK-GDBMZVCRSA-N
XLogP4.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

gamma-Phenyl-gamma-butyrolactone
CID 13884
5-(Iodomethyl)-3-methylidene-5-phenyloxolan-2-one
CID 11289970
5-(Bromomethyl)-5-(4-fluorophenyl)-3-methylideneoxolan-2-one
CID 148617041
5-[Bromo(phenyl)methyl]-3-methylidene-5-phenyloxolan-2-one
CID 153021469
5-(4-Fluorophenyl)-5-(iodomethyl)-3-methylideneoxolan-2-one
CID 147541433
Spiro(5H-dibenzo(a,d)cycloheptene-5,2'(5'H)-furan)-5'-one, 3',4',10,11-tetrahydro-4'-methylene-
CID 179617
5-(Bromomethyl)-3-methylidene-5-[4-(trifluoromethyl)phenyl]oxolan-2-one
CID 147683506
5-(Bromomethyl)-5-(2-fluorophenyl)-3-methylideneoxolan-2-one
CID 148013348
5-[Chloro(phenyl)methyl]-3-methylidene-5-phenyloxolan-2-one
CID 148857078
3-Methylidene-5-phenyl-5-(phenylselanylmethyl)oxolan-2-one
CID 156014380
5-Methyl-5-phenyloxolan-2-one
CID 88864
3-Methylene-5,5-diphenyldihydro-2(3H)-furanone
CID 549456

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4,5-diphenyl-5-(trifluoromethyl)oxolan-2-one?
The IUPAC name of (4R,5S)-4,5-diphenyl-5-(trifluoromethyl)oxolan-2-one (CID 25207990) is (4R,5S)-4,5-diphenyl-5-(trifluoromethyl)oxolan-2-one.
What is the SMILES notation for (4R,5S)-4,5-diphenyl-5-(trifluoromethyl)oxolan-2-one?
The canonical SMILES for (4R,5S)-4,5-diphenyl-5-(trifluoromethyl)oxolan-2-one is O=C1C[C@H](c2ccccc2)[C@](c2ccccc2)(C(F)(F)F)O1.
What is the InChIKey of (4R,5S)-4,5-diphenyl-5-(trifluoromethyl)oxolan-2-one?
The InChIKey is SEMYUNFBRXNNTK-GDBMZVCRSA-N. The full InChI is InChI=1S/C17H13F3O2/c18-17(19,20)16(13-9-5-2-6-10-13)14(11-15(21)22-16)12-7-3-1-4-8-12/h1-10,14H,11H2/t14-,16-/m1/s1.
What are the key properties of (4R,5S)-4,5-diphenyl-5-(trifluoromethyl)oxolan-2-one?
(4R,5S)-4,5-diphenyl-5-(trifluoromethyl)oxolan-2-one has a molecular weight of 306.28 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4,5-diphenyl-5-(trifluoromethyl)oxolan-2-one is sourced from PubChem (CID 25207990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).