(4S,5R)-5-ethyl-4-fluoro-5-phenyloxolan-2-one

C12H13FO2 — CID 132559975

IUPAC(4S,5R)-5-ethyl-4-fluoro-5-phenyloxolan-2-one
SMILESCC[C@]1(c2ccccc2)OC(=O)C[C@@H]1F
InChIInChI=1S/C12H13FO2/c1-2-12(9-6-4-3-5-7-9)10(13)8-11(14)15-12/h3-7,10H,2,8H2,1H3/t10-,12+/m0/s1
InChIKeyIDKPGZLUCTXGCS-CMPLNLGQSA-N
MW208.23 g/mol
LogP2.58
Rot. Bonds2

About (4S,5R)-5-ethyl-4-fluoro-5-phenyloxolan-2-one

(4S,5R)-5-ethyl-4-fluoro-5-phenyloxolan-2-one (PubChem CID 132559975) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is (4S,5R)-5-ethyl-4-fluoro-5-phenyloxolan-2-one.

Molecular Properties

Compound Name(4S,5R)-5-ethyl-4-fluoro-5-phenyloxolan-2-one
PubChem CID132559975
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Name(4S,5R)-5-ethyl-4-fluoro-5-phenyloxolan-2-one
SMILESCC[C@]1(c2ccccc2)OC(=O)C[C@@H]1F
InChIInChI=1S/C12H13FO2/c1-2-12(9-6-4-3-5-7-9)10(13)8-11(14)15-12/h3-7,10H,2,8H2,1H3/t10-,12+/m0/s1
InChIKeyIDKPGZLUCTXGCS-CMPLNLGQSA-N
XLogP2.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-2-ethyl-2,3-diphenyloxirane
CID 45095524
ethyl N-[(3S)-5-oxo-2,2-diphenyloxolan-3-yl]carbamate
CID 101097406
(2R,3S)-N,N,3-triethyl-3-phenyloxirane-2-carboxamide
CID 101356265
2-ethoxy-2-phenyl-1,3-dioxane-4,6-dione
CID 154445395
3-ethyl-3,4-dimethyl-2,2-diphenyloxetane
CID 165355883
(6R)-6-methyl-6-phenyloxan-2-one
CID 100971522
6-methyl-6-phenyloxane-2,3,5-trione
CID 12840341
methyl (2S,3R)-2-methyl-5-oxo-2-phenyloxolane-3-carboxylate
CID 102364670
2,2-dimethyl-5-phenyl-5-propyl-1,3-dioxolan-4-one
CID 175481481
2-[(2S,3S)-3-ethyl-3-phenyloxiran-2-yl]pyridine
CID 101468002
3-phenyl-3-propyloxolane-2,5-dione
CID 43134890
(3S,5S)-3,5-dimethyl-5-phenyloxolan-2-one
CID 11745429

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-ethyl-4-fluoro-5-phenyloxolan-2-one?
The IUPAC name of (4S,5R)-5-ethyl-4-fluoro-5-phenyloxolan-2-one (CID 132559975) is (4S,5R)-5-ethyl-4-fluoro-5-phenyloxolan-2-one.
What is the SMILES notation for (4S,5R)-5-ethyl-4-fluoro-5-phenyloxolan-2-one?
The canonical SMILES for (4S,5R)-5-ethyl-4-fluoro-5-phenyloxolan-2-one is CC[C@]1(c2ccccc2)OC(=O)C[C@@H]1F.
What is the InChIKey of (4S,5R)-5-ethyl-4-fluoro-5-phenyloxolan-2-one?
The InChIKey is IDKPGZLUCTXGCS-CMPLNLGQSA-N. The full InChI is InChI=1S/C12H13FO2/c1-2-12(9-6-4-3-5-7-9)10(13)8-11(14)15-12/h3-7,10H,2,8H2,1H3/t10-,12+/m0/s1.
What are the key properties of (4S,5R)-5-ethyl-4-fluoro-5-phenyloxolan-2-one?
(4S,5R)-5-ethyl-4-fluoro-5-phenyloxolan-2-one has a molecular weight of 208.23 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-ethyl-4-fluoro-5-phenyloxolan-2-one is sourced from PubChem (CID 132559975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).