methyl 6-fluoro-4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylate

C8H7FO3 — CID 20715396

IUPACmethyl 6-fluoro-4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylate
SMILESCOC(=O)C1(F)C2C=CC(=O)C21
InChIInChI=1S/C8H7FO3/c1-12-7(11)8(9)4-2-3-5(10)6(4)8/h2-4,6H,1H3
InChIKeyYUVDXBOGUSXEOA-UHFFFAOYSA-N
MW170.14 g/mol
LogP0.25
Rot. Bonds1

About methyl 6-fluoro-4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylate

methyl 6-fluoro-4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylate (PubChem CID 20715396) has the molecular formula C8H7FO3 and a molecular weight of 170.14 g/mol. Its IUPAC name is methyl 6-fluoro-4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylate.

Molecular Properties

Compound Namemethyl 6-fluoro-4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylate
PubChem CID20715396
Molecular FormulaC8H7FO3
Molecular Weight170.14 g/mol
Exact Mass170.04
IUPAC Namemethyl 6-fluoro-4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylate
SMILESCOC(=O)C1(F)C2C=CC(=O)C21
InChIInChI=1S/C8H7FO3/c1-12-7(11)8(9)4-2-3-5(10)6(4)8/h2-4,6H,1H3
InChIKeyYUVDXBOGUSXEOA-UHFFFAOYSA-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 6-fluoro-4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 6-fluoro-2-hydroxy-4-oxobicyclo[3.1.0]hexane-6-carboxylate
CID 20715391
methyl 6-fluoro-3-hydroxy-2-oxobicyclo[3.1.0]hexane-6-carboxylate
CID 77447523
methyl (1S,3S,5S,6S)-6-fluoro-3-hydroxy-2-oxobicyclo[3.1.0]hexane-6-carboxylate
CID 131059386
methyl 2-(4-bromophenyl)-1-fluoro-3-phenylcyclopropane-1-carboxylate
CID 118237237
methyl (3aR,4R,7aS)-4-methoxy-1-oxo-7,7a-dihydro-4H-indene-3a-carboxylate
CID 11557612
dimethyl (1R,4S,7S,10R)-pentacyclo[6.4.0.02,10.03,7.04,9]dodeca-5,11-diene-8,9-dicarboxylate
CID 98158983
dimethyl (1S,4S,7R,10R)-pentacyclo[6.4.0.02,10.03,7.04,9]dodeca-5,11-diene-8,9-dicarboxylate
CID 10869421
(1R,2S,6S,7S)-1,7,8,9-tetrachloro-10,10-dimethoxytricyclo[5.2.1.02,6]dec-4-en-3-one
CID 102322357
methyl 2-(4-bromophenyl)-3-ethyl-1-fluorocyclopropane-1-carboxylate
CID 123601380
methyl 4-ethyl-2-fluoro-4-methylbicyclo[1.1.0]butane-2-carboxylate
CID 134474597
4-hydroxy-4-methyl-3a,6a-dihydropentalen-1-one
CID 72814704
dodecamethyl (1R,2R,3S,4S,5S,6S,9R,10R,11R,12R,13S,14S,15S,16S,17S,22S,23R,24R)-decacyclo[12.10.0.02,13.03,12.04,11.05,10.06,9.015,24.016,23.017,22]tetracosa-7,18,20-triene-1,3,5,7,8,10,12,14,16,18,19,23-dodecacarboxylate
CID 10328650

Frequently Asked Questions

What is the IUPAC name of methyl 6-fluoro-4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylate?
The IUPAC name of methyl 6-fluoro-4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylate (CID 20715396) is methyl 6-fluoro-4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylate.
What is the SMILES notation for methyl 6-fluoro-4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylate?
The canonical SMILES for methyl 6-fluoro-4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylate is COC(=O)C1(F)C2C=CC(=O)C21.
What is the InChIKey of methyl 6-fluoro-4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylate?
The InChIKey is YUVDXBOGUSXEOA-UHFFFAOYSA-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.
What are the key properties of methyl 6-fluoro-4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylate?
methyl 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 6-fluoro-4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylate is sourced from PubChem (CID 20715396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).