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

C8H13FO2 — CID 89448776

IUPAC(3R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-one
SMILESCC[C@H]1OC(=O)[C@](C)(F)C1C
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-KYVYOHOSSA-N
MW160.19 g/mol
LogP1.69
Rot. Bonds1

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

(3R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-one (PubChem CID 89448776) has the molecular formula C8H13FO2 and a molecular weight of 160.19 g/mol. Its IUPAC name is (3R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-one.

Molecular Properties

Compound Name(3R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-one
PubChem CID89448776
Molecular FormulaC8H13FO2
Molecular Weight160.19 g/mol
Exact Mass160.09
IUPAC Name(3R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-one
SMILESCC[C@H]1OC(=O)[C@](C)(F)C1C
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-KYVYOHOSSA-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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Related Compounds

3-Butyldihydrofuran-2(3H)-one
CID 86852
(R)-4-Propyldihydrofuran-2(3H)-one
CID 10997054
5-Methyl-4-hexanolide
CID 13382542
3-Ethyldihydro-5-methyl-2(3H)-furanone
CID 29716
2(3H)-Furanone, dihydro-3-isopropyl-5-methyl-
CID 29717
3-Butyl-5-methyloxolan-2-one
CID 29718
Dihydro-5-methyl-3-propyl-2(3H)-furanone
CID 526141
5-Ethyl-4-methyloxolan-2-one
CID 13678507
2(3H)-Furanone, dihydro-3-(1,2-dimethylpropyl)-5-methyl-
CID 27589
Rel-ethyl (1r,3R,4S)-3,4-difluorocyclopentane-1-carboxylate
CID 155904398
3,4,5-Trimethyldihydrofuran-2-one
CID 544600
2(3H)-Furanone, 5-ethyldihydro-3-methyl-
CID 567167

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-one?
The IUPAC name of (3R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-one (CID 89448776) is (3R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-one.
What is the SMILES notation for (3R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-one?
The canonical SMILES for (3R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-one is CC[C@H]1OC(=O)[C@](C)(F)C1C.
What is the InChIKey of (3R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-one?
The InChIKey is KPZDSZTWCLVXRS-KYVYOHOSSA-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 (3R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-one?
(3R,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 (3R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-one is sourced from PubChem (CID 89448776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).