3,3-diphenyl-5-(2,2,2-trifluoroethyl)oxolan-2-one

C18H15F3O2 — CID 135031107

IUPAC3,3-diphenyl-5-(2,2,2-trifluoroethyl)oxolan-2-one
SMILESO=C1OC(CC(F)(F)F)CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H15F3O2/c19-18(20,21)12-15-11-17(16(22)23-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12H2
InChIKeyBUPLJSMDFGNXBR-UHFFFAOYSA-N
MW320.31 g/mol
LogP4.24
Rot. Bonds3

About 3,3-diphenyl-5-(2,2,2-trifluoroethyl)oxolan-2-one

3,3-diphenyl-5-(2,2,2-trifluoroethyl)oxolan-2-one (PubChem CID 135031107) has the molecular formula C18H15F3O2 and a molecular weight of 320.31 g/mol. Its IUPAC name is 3,3-diphenyl-5-(2,2,2-trifluoroethyl)oxolan-2-one.

Molecular Properties

Compound Name3,3-diphenyl-5-(2,2,2-trifluoroethyl)oxolan-2-one
PubChem CID135031107
Molecular FormulaC18H15F3O2
Molecular Weight320.31 g/mol
Exact Mass320.10
IUPAC Name3,3-diphenyl-5-(2,2,2-trifluoroethyl)oxolan-2-one
SMILESO=C1OC(CC(F)(F)F)CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H15F3O2/c19-18(20,21)12-15-11-17(16(22)23-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12H2
InChIKeyBUPLJSMDFGNXBR-UHFFFAOYSA-N
XLogP4.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Phenethyl phenylacetate
CID 7601
3-Phenyloxolan-2-one
CID 23269
Benzeneacetic acid, cyclohexyl ester
CID 96325
Fluenetil
CID 20288
Dihydro-4-phenylfuran-2(3H)-one
CID 70515
Ethyl diphenylacetate
CID 226748
4-Phenyl-2-oxabicyclo[2.2.1]heptan-3-one
CID 659404
Dihydro-3,3-diphenyl-2(3H)-furanone
CID 70393
Ethyl 2,2-difluoro-2-phenylacetate
CID 10631860
5-(Bromomethyl)-3,3-diphenyldihydrofuran-2(3h)-one
CID 285906
(4R)-4alpha-Phenyltetrahydrofuran-2-one
CID 10920832
3-Ethyl-3-phenyloxolan-2-one
CID 19986

Frequently Asked Questions

What is the IUPAC name of 3,3-diphenyl-5-(2,2,2-trifluoroethyl)oxolan-2-one?
The IUPAC name of 3,3-diphenyl-5-(2,2,2-trifluoroethyl)oxolan-2-one (CID 135031107) is 3,3-diphenyl-5-(2,2,2-trifluoroethyl)oxolan-2-one.
What is the SMILES notation for 3,3-diphenyl-5-(2,2,2-trifluoroethyl)oxolan-2-one?
The canonical SMILES for 3,3-diphenyl-5-(2,2,2-trifluoroethyl)oxolan-2-one is O=C1OC(CC(F)(F)F)CC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 3,3-diphenyl-5-(2,2,2-trifluoroethyl)oxolan-2-one?
The InChIKey is BUPLJSMDFGNXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3O2/c19-18(20,21)12-15-11-17(16(22)23-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12H2.
What are the key properties of 3,3-diphenyl-5-(2,2,2-trifluoroethyl)oxolan-2-one?
3,3-diphenyl-5-(2,2,2-trifluoroethyl)oxolan-2-one has a molecular weight of 320.31 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenyl-5-(2,2,2-trifluoroethyl)oxolan-2-one is sourced from PubChem (CID 135031107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).