(4S,5R)-4-phenyl-5-thiophen-2-yl-5-(trifluoromethyl)oxolan-2-one

C15H11F3O2S — CID 71581364

IUPAC(4S,5R)-4-phenyl-5-thiophen-2-yl-5-(trifluoromethyl)oxolan-2-one
SMILESO=C1C[C@@H](c2ccccc2)[C@](c2cccs2)(C(F)(F)F)O1
InChIInChI=1S/C15H11F3O2S/c16-15(17,18)14(12-7-4-8-21-12)11(9-13(19)20-14)10-5-2-1-3-6-10/h1-8,11H,9H2/t11-,14-/m0/s1
InChIKeyWBBFFOQIAUFKJR-FZMZJTMJSA-N
MW312.31 g/mol
LogP4.24
Rot. Bonds2

About (4S,5R)-4-phenyl-5-thiophen-2-yl-5-(trifluoromethyl)oxolan-2-one

(4S,5R)-4-phenyl-5-thiophen-2-yl-5-(trifluoromethyl)oxolan-2-one (PubChem CID 71581364) has the molecular formula C15H11F3O2S and a molecular weight of 312.31 g/mol. Its IUPAC name is (4S,5R)-4-phenyl-5-thiophen-2-yl-5-(trifluoromethyl)oxolan-2-one.

Molecular Properties

Compound Name(4S,5R)-4-phenyl-5-thiophen-2-yl-5-(trifluoromethyl)oxolan-2-one
PubChem CID71581364
Molecular FormulaC15H11F3O2S
Molecular Weight312.31 g/mol
Exact Mass312.04
IUPAC Name(4S,5R)-4-phenyl-5-thiophen-2-yl-5-(trifluoromethyl)oxolan-2-one
SMILESO=C1C[C@@H](c2ccccc2)[C@](c2cccs2)(C(F)(F)F)O1
InChIInChI=1S/C15H11F3O2S/c16-15(17,18)14(12-7-4-8-21-12)11(9-13(19)20-14)10-5-2-1-3-6-10/h1-8,11H,9H2/t11-,14-/m0/s1
InChIKeyWBBFFOQIAUFKJR-FZMZJTMJSA-N
XLogP4.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.31
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-phenyl-5-thiophen-2-yl-5-(trifluoromethyl)oxolan-2-one?
The IUPAC name of (4S,5R)-4-phenyl-5-thiophen-2-yl-5-(trifluoromethyl)oxolan-2-one (CID 71581364) is (4S,5R)-4-phenyl-5-thiophen-2-yl-5-(trifluoromethyl)oxolan-2-one.
What is the SMILES notation for (4S,5R)-4-phenyl-5-thiophen-2-yl-5-(trifluoromethyl)oxolan-2-one?
The canonical SMILES for (4S,5R)-4-phenyl-5-thiophen-2-yl-5-(trifluoromethyl)oxolan-2-one is O=C1C[C@@H](c2ccccc2)[C@](c2cccs2)(C(F)(F)F)O1.
What is the InChIKey of (4S,5R)-4-phenyl-5-thiophen-2-yl-5-(trifluoromethyl)oxolan-2-one?
The InChIKey is WBBFFOQIAUFKJR-FZMZJTMJSA-N. The full InChI is InChI=1S/C15H11F3O2S/c16-15(17,18)14(12-7-4-8-21-12)11(9-13(19)20-14)10-5-2-1-3-6-10/h1-8,11H,9H2/t11-,14-/m0/s1.
What are the key properties of (4S,5R)-4-phenyl-5-thiophen-2-yl-5-(trifluoromethyl)oxolan-2-one?
(4S,5R)-4-phenyl-5-thiophen-2-yl-5-(trifluoromethyl)oxolan-2-one has a molecular weight of 312.31 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-phenyl-5-thiophen-2-yl-5-(trifluoromethyl)oxolan-2-one is sourced from PubChem (CID 71581364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).