(3S,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-one

C8H13FO2 — CID 118423800

IUPAC(3S,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-one
SMILESCC[C@H]1OC(=O)[C@@](C)(F)[C@@H]1C
InChIInChI=1S/C8H13FO2/c1-4-6-5(2)8(3,9)7(10)11-6/h5-6H,4H2,1-3H3/t5-,6-,8+/m1/s1
InChIKeyKPZDSZTWCLVXRS-JKMUOGBPSA-N
MW160.19 g/mol
LogP1.69
Rot. Bonds1

About (3S,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-one

(3S,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-one (PubChem CID 118423800) has the molecular formula C8H13FO2 and a molecular weight of 160.19 g/mol. Its IUPAC name is (3S,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-one.

Molecular Properties

Compound Name(3S,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-one
PubChem CID118423800
Molecular FormulaC8H13FO2
Molecular Weight160.19 g/mol
Exact Mass160.09
IUPAC Name(3S,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-one
SMILESCC[C@H]1OC(=O)[C@@](C)(F)[C@@H]1C
InChIInChI=1S/C8H13FO2/c1-4-6-5(2)8(3,9)7(10)11-6/h5-6H,4H2,1-3H3/t5-,6-,8+/m1/s1
InChIKeyKPZDSZTWCLVXRS-JKMUOGBPSA-N
XLogP1.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-one?
The IUPAC name of (3S,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-one (CID 118423800) is (3S,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-one.
What is the SMILES notation for (3S,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-one?
The canonical SMILES for (3S,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-one is CC[C@H]1OC(=O)[C@@](C)(F)[C@@H]1C.
What is the InChIKey of (3S,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-one?
The InChIKey is KPZDSZTWCLVXRS-JKMUOGBPSA-N. The full InChI is InChI=1S/C8H13FO2/c1-4-6-5(2)8(3,9)7(10)11-6/h5-6H,4H2,1-3H3/t5-,6-,8+/m1/s1.
What are the key properties of (3S,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-one?
(3S,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-one has a molecular weight of 160.19 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-one is sourced from PubChem (CID 118423800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).