methyl 6-fluoro-2-methoxy-4-oxobicyclo[3.1.0]hexane-6-carboxylate

C9H11FO4 — CID 20715395

IUPACmethyl 6-fluoro-2-methoxy-4-oxobicyclo[3.1.0]hexane-6-carboxylate
SMILESCOC(=O)C1(F)C2C(=O)CC(OC)C21
InChIInChI=1S/C9H11FO4/c1-13-5-3-4(11)6-7(5)9(6,10)8(12)14-2/h5-7H,3H2,1-2H3
InChIKeyUARNJWJVMFLQIH-UHFFFAOYSA-N
MW202.18 g/mol
LogP0.10
Rot. Bonds2

About methyl 6-fluoro-2-methoxy-4-oxobicyclo[3.1.0]hexane-6-carboxylate

methyl 6-fluoro-2-methoxy-4-oxobicyclo[3.1.0]hexane-6-carboxylate (PubChem CID 20715395) has the molecular formula C9H11FO4 and a molecular weight of 202.18 g/mol. Its IUPAC name is methyl 6-fluoro-2-methoxy-4-oxobicyclo[3.1.0]hexane-6-carboxylate.

Molecular Properties

Compound Namemethyl 6-fluoro-2-methoxy-4-oxobicyclo[3.1.0]hexane-6-carboxylate
PubChem CID20715395
Molecular FormulaC9H11FO4
Molecular Weight202.18 g/mol
Exact Mass202.06
IUPAC Namemethyl 6-fluoro-2-methoxy-4-oxobicyclo[3.1.0]hexane-6-carboxylate
SMILESCOC(=O)C1(F)C2C(=O)CC(OC)C21
InChIInChI=1S/C9H11FO4/c1-13-5-3-4(11)6-7(5)9(6,10)8(12)14-2/h5-7H,3H2,1-2H3
InChIKeyUARNJWJVMFLQIH-UHFFFAOYSA-N
XLogP0.10
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 6-fluoro-2-methoxy-4-oxobicyclo[3.1.0]hexane-6-carboxylate 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 methyl 6-fluoro-2-methoxy-4-oxobicyclo[3.1.0]hexane-6-carboxylate?
The IUPAC name of methyl 6-fluoro-2-methoxy-4-oxobicyclo[3.1.0]hexane-6-carboxylate (CID 20715395) is methyl 6-fluoro-2-methoxy-4-oxobicyclo[3.1.0]hexane-6-carboxylate.
What is the SMILES notation for methyl 6-fluoro-2-methoxy-4-oxobicyclo[3.1.0]hexane-6-carboxylate?
The canonical SMILES for methyl 6-fluoro-2-methoxy-4-oxobicyclo[3.1.0]hexane-6-carboxylate is COC(=O)C1(F)C2C(=O)CC(OC)C21.
What is the InChIKey of methyl 6-fluoro-2-methoxy-4-oxobicyclo[3.1.0]hexane-6-carboxylate?
The InChIKey is UARNJWJVMFLQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO4/c1-13-5-3-4(11)6-7(5)9(6,10)8(12)14-2/h5-7H,3H2,1-2H3.
What are the key properties of methyl 6-fluoro-2-methoxy-4-oxobicyclo[3.1.0]hexane-6-carboxylate?
methyl 6-fluoro-2-methoxy-4-oxobicyclo[3.1.0]hexane-6-carboxylate has a molecular weight of 202.18 g/mol, XLogP of 0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-fluoro-2-methoxy-4-oxobicyclo[3.1.0]hexane-6-carboxylate is sourced from PubChem (CID 20715395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).