(4S,5S)-5-(4-chlorophenyl)-4-phenyl-5-(trifluoromethyl)oxolan-2-one

C17H12ClF3O2 — CID 71581348

IUPAC(4S,5S)-5-(4-chlorophenyl)-4-phenyl-5-(trifluoromethyl)oxolan-2-one
SMILESO=C1C[C@@H](c2ccccc2)[C@](c2ccc(Cl)cc2)(C(F)(F)F)O1
InChIInChI=1S/C17H12ClF3O2/c18-13-8-6-12(7-9-13)16(17(19,20)21)14(10-15(22)23-16)11-4-2-1-3-5-11/h1-9,14H,10H2/t14-,16+/m0/s1
InChIKeyYSNPDVRKVQALOR-GOEBONIOSA-N
MW340.73 g/mol
LogP4.83
Rot. Bonds2

About (4S,5S)-5-(4-chlorophenyl)-4-phenyl-5-(trifluoromethyl)oxolan-2-one

(4S,5S)-5-(4-chlorophenyl)-4-phenyl-5-(trifluoromethyl)oxolan-2-one (PubChem CID 71581348) has the molecular formula C17H12ClF3O2 and a molecular weight of 340.73 g/mol. Its IUPAC name is (4S,5S)-5-(4-chlorophenyl)-4-phenyl-5-(trifluoromethyl)oxolan-2-one.

Molecular Properties

Compound Name(4S,5S)-5-(4-chlorophenyl)-4-phenyl-5-(trifluoromethyl)oxolan-2-one
PubChem CID71581348
Molecular FormulaC17H12ClF3O2
Molecular Weight340.73 g/mol
Exact Mass340.05
IUPAC Name(4S,5S)-5-(4-chlorophenyl)-4-phenyl-5-(trifluoromethyl)oxolan-2-one
SMILESO=C1C[C@@H](c2ccccc2)[C@](c2ccc(Cl)cc2)(C(F)(F)F)O1
InChIInChI=1S/C17H12ClF3O2/c18-13-8-6-12(7-9-13)16(17(19,20)21)14(10-15(22)23-16)11-4-2-1-3-5-11/h1-9,14H,10H2/t14-,16+/m0/s1
InChIKeyYSNPDVRKVQALOR-GOEBONIOSA-N
XLogP4.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.73
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-(4-chlorophenyl)-4-phenyl-5-(trifluoromethyl)oxolan-2-one?
The IUPAC name of (4S,5S)-5-(4-chlorophenyl)-4-phenyl-5-(trifluoromethyl)oxolan-2-one (CID 71581348) is (4S,5S)-5-(4-chlorophenyl)-4-phenyl-5-(trifluoromethyl)oxolan-2-one.
What is the SMILES notation for (4S,5S)-5-(4-chlorophenyl)-4-phenyl-5-(trifluoromethyl)oxolan-2-one?
The canonical SMILES for (4S,5S)-5-(4-chlorophenyl)-4-phenyl-5-(trifluoromethyl)oxolan-2-one is O=C1C[C@@H](c2ccccc2)[C@](c2ccc(Cl)cc2)(C(F)(F)F)O1.
What is the InChIKey of (4S,5S)-5-(4-chlorophenyl)-4-phenyl-5-(trifluoromethyl)oxolan-2-one?
The InChIKey is YSNPDVRKVQALOR-GOEBONIOSA-N. The full InChI is InChI=1S/C17H12ClF3O2/c18-13-8-6-12(7-9-13)16(17(19,20)21)14(10-15(22)23-16)11-4-2-1-3-5-11/h1-9,14H,10H2/t14-,16+/m0/s1.
What are the key properties of (4S,5S)-5-(4-chlorophenyl)-4-phenyl-5-(trifluoromethyl)oxolan-2-one?
(4S,5S)-5-(4-chlorophenyl)-4-phenyl-5-(trifluoromethyl)oxolan-2-one has a molecular weight of 340.73 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-(4-chlorophenyl)-4-phenyl-5-(trifluoromethyl)oxolan-2-one is sourced from PubChem (CID 71581348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).