(5R)-5-(4-chlorophenyl)-5-(2,2,2-trifluoroethyl)oxolan-2-one

C12H10ClF3O2 — CID 102226897

IUPAC(5R)-5-(4-chlorophenyl)-5-(2,2,2-trifluoroethyl)oxolan-2-one
SMILESO=C1CC[C@@](CC(F)(F)F)(c2ccc(Cl)cc2)O1
InChIInChI=1S/C12H10ClF3O2/c13-9-3-1-8(2-4-9)11(7-12(14,15)16)6-5-10(17)18-11/h1-4H,5-7H2/t11-/m1/s1
InChIKeyNZTSPDZTHAHZKQ-LLVKDONJSA-N
MW278.66 g/mol
LogP3.82
Rot. Bonds2

About (5R)-5-(4-chlorophenyl)-5-(2,2,2-trifluoroethyl)oxolan-2-one

(5R)-5-(4-chlorophenyl)-5-(2,2,2-trifluoroethyl)oxolan-2-one (PubChem CID 102226897) has the molecular formula C12H10ClF3O2 and a molecular weight of 278.66 g/mol. Its IUPAC name is (5R)-5-(4-chlorophenyl)-5-(2,2,2-trifluoroethyl)oxolan-2-one.

Molecular Properties

Compound Name(5R)-5-(4-chlorophenyl)-5-(2,2,2-trifluoroethyl)oxolan-2-one
PubChem CID102226897
Molecular FormulaC12H10ClF3O2
Molecular Weight278.66 g/mol
Exact Mass278.03
IUPAC Name(5R)-5-(4-chlorophenyl)-5-(2,2,2-trifluoroethyl)oxolan-2-one
SMILESO=C1CC[C@@](CC(F)(F)F)(c2ccc(Cl)cc2)O1
InChIInChI=1S/C12H10ClF3O2/c13-9-3-1-8(2-4-9)11(7-12(14,15)16)6-5-10(17)18-11/h1-4H,5-7H2/t11-/m1/s1
InChIKeyNZTSPDZTHAHZKQ-LLVKDONJSA-N
XLogP3.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.66
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-chlorophenyl)-5-(2,2,2-trifluoroethyl)oxolan-2-one?
The IUPAC name of (5R)-5-(4-chlorophenyl)-5-(2,2,2-trifluoroethyl)oxolan-2-one (CID 102226897) is (5R)-5-(4-chlorophenyl)-5-(2,2,2-trifluoroethyl)oxolan-2-one.
What is the SMILES notation for (5R)-5-(4-chlorophenyl)-5-(2,2,2-trifluoroethyl)oxolan-2-one?
The canonical SMILES for (5R)-5-(4-chlorophenyl)-5-(2,2,2-trifluoroethyl)oxolan-2-one is O=C1CC[C@@](CC(F)(F)F)(c2ccc(Cl)cc2)O1.
What is the InChIKey of (5R)-5-(4-chlorophenyl)-5-(2,2,2-trifluoroethyl)oxolan-2-one?
The InChIKey is NZTSPDZTHAHZKQ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H10ClF3O2/c13-9-3-1-8(2-4-9)11(7-12(14,15)16)6-5-10(17)18-11/h1-4H,5-7H2/t11-/m1/s1.
What are the key properties of (5R)-5-(4-chlorophenyl)-5-(2,2,2-trifluoroethyl)oxolan-2-one?
(5R)-5-(4-chlorophenyl)-5-(2,2,2-trifluoroethyl)oxolan-2-one has a molecular weight of 278.66 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-chlorophenyl)-5-(2,2,2-trifluoroethyl)oxolan-2-one is sourced from PubChem (CID 102226897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).