(4S,5R)-4-phenyl-5-(2,2,2-trifluoroethoxy)oxolan-2-one

C12H11F3O3 — CID 177413972

IUPAC(4S,5R)-4-phenyl-5-(2,2,2-trifluoroethoxy)oxolan-2-one
SMILESO=C1C[C@@H](c2ccccc2)[C@H](OCC(F)(F)F)O1
InChIInChI=1S/C12H11F3O3/c13-12(14,15)7-17-11-9(6-10(16)18-11)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2/t9-,11+/m0/s1
InChIKeyPZAJQLQHGRLPAA-GXSJLCMTSA-N
MW260.21 g/mol
LogP2.62
Rot. Bonds3

About (4S,5R)-4-phenyl-5-(2,2,2-trifluoroethoxy)oxolan-2-one

(4S,5R)-4-phenyl-5-(2,2,2-trifluoroethoxy)oxolan-2-one (PubChem CID 177413972) has the molecular formula C12H11F3O3 and a molecular weight of 260.21 g/mol. Its IUPAC name is (4S,5R)-4-phenyl-5-(2,2,2-trifluoroethoxy)oxolan-2-one.

Molecular Properties

Compound Name(4S,5R)-4-phenyl-5-(2,2,2-trifluoroethoxy)oxolan-2-one
PubChem CID177413972
Molecular FormulaC12H11F3O3
Molecular Weight260.21 g/mol
Exact Mass260.07
IUPAC Name(4S,5R)-4-phenyl-5-(2,2,2-trifluoroethoxy)oxolan-2-one
SMILESO=C1C[C@@H](c2ccccc2)[C@H](OCC(F)(F)F)O1
InChIInChI=1S/C12H11F3O3/c13-12(14,15)7-17-11-9(6-10(16)18-11)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2/t9-,11+/m0/s1
InChIKeyPZAJQLQHGRLPAA-GXSJLCMTSA-N
XLogP2.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-5-(trifluoromethyl)oxolan-2-one
CID 144706053
(4R,5R)-5-(hydroxymethyl)-4-phenyloxolan-2-one
CID 25179342
5-(bromomethyl)-4-phenyloxolan-2-one
CID 59051964
5-ethoxy-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]oxolan-2-one
CID 139757381
4-phenyl-5-prop-2-enyloxolan-2-one
CID 14448606
4-(4-bromophenyl)-5-phenyloxolan-2-one
CID 144706057
4-(4-methylphenyl)-5-phenyloxolan-2-one
CID 144706058
(4S,5R,6R)-5-acetyl-4,6-diphenyloxan-2-one
CID 15448194
4-(4-fluorophenyl)-5-(trifluoromethyl)oxolan-2-one
CID 144706040
(2R,4R)-4-phenyl-2-(2,2,2-trifluoroethoxy)-1,3,2λ5-dioxaphospholane 2-oxide
CID 10062280
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 120746345
(4R,5S)-4-azido-5-phenyloxolan-2-one
CID 10867402

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-phenyl-5-(2,2,2-trifluoroethoxy)oxolan-2-one?
The IUPAC name of (4S,5R)-4-phenyl-5-(2,2,2-trifluoroethoxy)oxolan-2-one (CID 177413972) is (4S,5R)-4-phenyl-5-(2,2,2-trifluoroethoxy)oxolan-2-one.
What is the SMILES notation for (4S,5R)-4-phenyl-5-(2,2,2-trifluoroethoxy)oxolan-2-one?
The canonical SMILES for (4S,5R)-4-phenyl-5-(2,2,2-trifluoroethoxy)oxolan-2-one is O=C1C[C@@H](c2ccccc2)[C@H](OCC(F)(F)F)O1.
What is the InChIKey of (4S,5R)-4-phenyl-5-(2,2,2-trifluoroethoxy)oxolan-2-one?
The InChIKey is PZAJQLQHGRLPAA-GXSJLCMTSA-N. The full InChI is InChI=1S/C12H11F3O3/c13-12(14,15)7-17-11-9(6-10(16)18-11)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2/t9-,11+/m0/s1.
What are the key properties of (4S,5R)-4-phenyl-5-(2,2,2-trifluoroethoxy)oxolan-2-one?
(4S,5R)-4-phenyl-5-(2,2,2-trifluoroethoxy)oxolan-2-one has a molecular weight of 260.21 g/mol, XLogP of 2.62, 3 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-(2,2,2-trifluoroethoxy)oxolan-2-one is sourced from PubChem (CID 177413972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).