5,5-diethyl-3-fluoro-4-hydroxyoxolan-2-one

C8H13FO3 — CID 130145456

IUPAC5,5-diethyl-3-fluoro-4-hydroxyoxolan-2-one
SMILESCCC1(CC)OC(=O)C(F)C1O
InChIInChI=1S/C8H13FO3/c1-3-8(4-2)6(10)5(9)7(11)12-8/h5-6,10H,3-4H2,1-2H3
InChIKeyRABQPNOQZOXARZ-UHFFFAOYSA-N
MW176.19 g/mol
LogP0.80
Rot. Bonds2

About 5,5-diethyl-3-fluoro-4-hydroxyoxolan-2-one

5,5-diethyl-3-fluoro-4-hydroxyoxolan-2-one (PubChem CID 130145456) has the molecular formula C8H13FO3 and a molecular weight of 176.19 g/mol. Its IUPAC name is 5,5-diethyl-3-fluoro-4-hydroxyoxolan-2-one.

Molecular Properties

Compound Name5,5-diethyl-3-fluoro-4-hydroxyoxolan-2-one
PubChem CID130145456
Molecular FormulaC8H13FO3
Molecular Weight176.19 g/mol
Exact Mass176.08
IUPAC Name5,5-diethyl-3-fluoro-4-hydroxyoxolan-2-one
SMILESCCC1(CC)OC(=O)C(F)C1O
InChIInChI=1S/C8H13FO3/c1-3-8(4-2)6(10)5(9)7(11)12-8/h5-6,10H,3-4H2,1-2H3
InChIKeyRABQPNOQZOXARZ-UHFFFAOYSA-N
XLogP0.80
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-3-fluoro-4-hydroxyoxolan-2-one?
The IUPAC name of 5,5-diethyl-3-fluoro-4-hydroxyoxolan-2-one (CID 130145456) is 5,5-diethyl-3-fluoro-4-hydroxyoxolan-2-one.
What is the SMILES notation for 5,5-diethyl-3-fluoro-4-hydroxyoxolan-2-one?
The canonical SMILES for 5,5-diethyl-3-fluoro-4-hydroxyoxolan-2-one is CCC1(CC)OC(=O)C(F)C1O.
What is the InChIKey of 5,5-diethyl-3-fluoro-4-hydroxyoxolan-2-one?
The InChIKey is RABQPNOQZOXARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO3/c1-3-8(4-2)6(10)5(9)7(11)12-8/h5-6,10H,3-4H2,1-2H3.
What are the key properties of 5,5-diethyl-3-fluoro-4-hydroxyoxolan-2-one?
5,5-diethyl-3-fluoro-4-hydroxyoxolan-2-one has a molecular weight of 176.19 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-3-fluoro-4-hydroxyoxolan-2-one is sourced from PubChem (CID 130145456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).