[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 2-fluoroacetate

C8H11FO4 — CID 12013542

IUPAC[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 2-fluoroacetate
SMILESCC1(C)COC(=O)[C@@H]1OC(=O)CF
InChIInChI=1S/C8H11FO4/c1-8(2)4-12-7(11)6(8)13-5(10)3-9/h6H,3-4H2,1-2H3/t6-/m0/s1
InChIKeyRCYGORNKQZXQLD-LURJTMIESA-N
MW190.17 g/mol
LogP0.45
Rot. Bonds2

About [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 2-fluoroacetate

[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 2-fluoroacetate (PubChem CID 12013542) has the molecular formula C8H11FO4 and a molecular weight of 190.17 g/mol. Its IUPAC name is [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 2-fluoroacetate.

Molecular Properties

Compound Name[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 2-fluoroacetate
PubChem CID12013542
Molecular FormulaC8H11FO4
Molecular Weight190.17 g/mol
Exact Mass190.06
IUPAC Name[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 2-fluoroacetate
SMILESCC1(C)COC(=O)[C@@H]1OC(=O)CF
InChIInChI=1S/C8H11FO4/c1-8(2)4-12-7(11)6(8)13-5(10)3-9/h6H,3-4H2,1-2H3/t6-/m0/s1
InChIKeyRCYGORNKQZXQLD-LURJTMIESA-N
XLogP0.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 2-fluoroacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 2-fluoroacetate?
The IUPAC name of [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 2-fluoroacetate (CID 12013542) is [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 2-fluoroacetate.
What is the SMILES notation for [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 2-fluoroacetate?
The canonical SMILES for [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 2-fluoroacetate is CC1(C)COC(=O)[C@@H]1OC(=O)CF.
What is the InChIKey of [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 2-fluoroacetate?
The InChIKey is RCYGORNKQZXQLD-LURJTMIESA-N. The full InChI is InChI=1S/C8H11FO4/c1-8(2)4-12-7(11)6(8)13-5(10)3-9/h6H,3-4H2,1-2H3/t6-/m0/s1.
What are the key properties of [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 2-fluoroacetate?
[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 2-fluoroacetate has a molecular weight of 190.17 g/mol, XLogP of 0.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 2-fluoroacetate is sourced from PubChem (CID 12013542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).