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

C8H9FO4 — CID 20715391

IUPACmethyl 6-fluoro-2-hydroxy-4-oxobicyclo[3.1.0]hexane-6-carboxylate
SMILESCOC(=O)C1(F)C2C(=O)CC(O)C21
InChIInChI=1S/C8H9FO4/c1-13-7(12)8(9)5-3(10)2-4(11)6(5)8/h3,5-6,10H,2H2,1H3
InChIKeyBRFFTEZIOUCBJW-UHFFFAOYSA-N
MW188.15 g/mol
LogP-0.55
Rot. Bonds1

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

methyl 6-fluoro-2-hydroxy-4-oxobicyclo[3.1.0]hexane-6-carboxylate (PubChem CID 20715391) has the molecular formula C8H9FO4 and a molecular weight of 188.15 g/mol. Its IUPAC name is methyl 6-fluoro-2-hydroxy-4-oxobicyclo[3.1.0]hexane-6-carboxylate.

Molecular Properties

Compound Namemethyl 6-fluoro-2-hydroxy-4-oxobicyclo[3.1.0]hexane-6-carboxylate
PubChem CID20715391
Molecular FormulaC8H9FO4
Molecular Weight188.15 g/mol
Exact Mass188.05
IUPAC Namemethyl 6-fluoro-2-hydroxy-4-oxobicyclo[3.1.0]hexane-6-carboxylate
SMILESCOC(=O)C1(F)C2C(=O)CC(O)C21
InChIInChI=1S/C8H9FO4/c1-13-7(12)8(9)5-3(10)2-4(11)6(5)8/h3,5-6,10H,2H2,1H3
InChIKeyBRFFTEZIOUCBJW-UHFFFAOYSA-N
XLogP-0.55
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.15
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-fluoro-2-hydroxy-4-oxobicyclo[3.1.0]hexane-6-carboxylate?
The IUPAC name of methyl 6-fluoro-2-hydroxy-4-oxobicyclo[3.1.0]hexane-6-carboxylate (CID 20715391) is methyl 6-fluoro-2-hydroxy-4-oxobicyclo[3.1.0]hexane-6-carboxylate.
What is the SMILES notation for methyl 6-fluoro-2-hydroxy-4-oxobicyclo[3.1.0]hexane-6-carboxylate?
The canonical SMILES for methyl 6-fluoro-2-hydroxy-4-oxobicyclo[3.1.0]hexane-6-carboxylate is COC(=O)C1(F)C2C(=O)CC(O)C21.
What is the InChIKey of methyl 6-fluoro-2-hydroxy-4-oxobicyclo[3.1.0]hexane-6-carboxylate?
The InChIKey is BRFFTEZIOUCBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO4/c1-13-7(12)8(9)5-3(10)2-4(11)6(5)8/h3,5-6,10H,2H2,1H3.
What are the key properties of methyl 6-fluoro-2-hydroxy-4-oxobicyclo[3.1.0]hexane-6-carboxylate?
methyl 6-fluoro-2-hydroxy-4-oxobicyclo[3.1.0]hexane-6-carboxylate has a molecular weight of 188.15 g/mol, XLogP of -0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-fluoro-2-hydroxy-4-oxobicyclo[3.1.0]hexane-6-carboxylate is sourced from PubChem (CID 20715391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).