methyl (1S,5S,6S)-6-fluoro-4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylate

C8H7FO3 — CID 58193975

IUPACmethyl (1S,5S,6S)-6-fluoro-4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylate
SMILESCOC(=O)[C@@]1(F)[C@@H]2C(=O)C=C[C@@H]21
InChIInChI=1S/C8H7FO3/c1-12-7(11)8(9)4-2-3-5(10)6(4)8/h2-4,6H,1H3/t4-,6-,8-/m0/s1
InChIKeyYUVDXBOGUSXEOA-WSDOSGOUSA-N
MW170.14 g/mol
LogP0.25
Rot. Bonds1

About methyl (1S,5S,6S)-6-fluoro-4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylate

methyl (1S,5S,6S)-6-fluoro-4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylate (PubChem CID 58193975) has the molecular formula C8H7FO3 and a molecular weight of 170.14 g/mol. Its IUPAC name is methyl (1S,5S,6S)-6-fluoro-4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylate.

Molecular Properties

Compound Namemethyl (1S,5S,6S)-6-fluoro-4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylate
PubChem CID58193975
Molecular FormulaC8H7FO3
Molecular Weight170.14 g/mol
Exact Mass170.04
IUPAC Namemethyl (1S,5S,6S)-6-fluoro-4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylate
SMILESCOC(=O)[C@@]1(F)[C@@H]2C(=O)C=C[C@@H]21
InChIInChI=1S/C8H7FO3/c1-12-7(11)8(9)4-2-3-5(10)6(4)8/h2-4,6H,1H3/t4-,6-,8-/m0/s1
InChIKeyYUVDXBOGUSXEOA-WSDOSGOUSA-N
XLogP0.25
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.14
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl (1S,5S,6S)-6-fluoro-4-oxobicyclo[3.1.0]hex-2-ene-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 (1S,5S,6S)-6-fluoro-4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylate?
The IUPAC name of methyl (1S,5S,6S)-6-fluoro-4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylate (CID 58193975) is methyl (1S,5S,6S)-6-fluoro-4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylate.
What is the SMILES notation for methyl (1S,5S,6S)-6-fluoro-4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylate?
The canonical SMILES for methyl (1S,5S,6S)-6-fluoro-4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylate is COC(=O)[C@@]1(F)[C@@H]2C(=O)C=C[C@@H]21.
What is the InChIKey of methyl (1S,5S,6S)-6-fluoro-4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylate?
The InChIKey is YUVDXBOGUSXEOA-WSDOSGOUSA-N. The full InChI is InChI=1S/C8H7FO3/c1-12-7(11)8(9)4-2-3-5(10)6(4)8/h2-4,6H,1H3/t4-,6-,8-/m0/s1.
What are the key properties of methyl (1S,5S,6S)-6-fluoro-4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylate?
methyl (1S,5S,6S)-6-fluoro-4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylate has a molecular weight of 170.14 g/mol, XLogP of 0.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,5S,6S)-6-fluoro-4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylate is sourced from PubChem (CID 58193975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).