methyl (1S,2S,4R,5R,6R)-6-fluoro-2-hydroxy-4-propanoyloxybicyclo[3.1.0]hexane-6-carboxylate

C11H15FO5 — CID 58193991

IUPACmethyl (1S,2S,4R,5R,6R)-6-fluoro-2-hydroxy-4-propanoyloxybicyclo[3.1.0]hexane-6-carboxylate
SMILESCCC(=O)O[C@@H]1C[C@H](O)[C@@H]2[C@H]1[C@@]2(F)C(=O)OC
InChIInChI=1S/C11H15FO5/c1-3-7(14)17-6-4-5(13)8-9(6)11(8,12)10(15)16-2/h5-6,8-9,13H,3-4H2,1-2H3/t5-,6+,8+,9-,11+/m0/s1
InChIKeyRGRSNQPTHLETTK-VISRLPHGSA-N
MW246.23 g/mol
LogP0.20
Rot. Bonds3

About methyl (1S,2S,4R,5R,6R)-6-fluoro-2-hydroxy-4-propanoyloxybicyclo[3.1.0]hexane-6-carboxylate

methyl (1S,2S,4R,5R,6R)-6-fluoro-2-hydroxy-4-propanoyloxybicyclo[3.1.0]hexane-6-carboxylate (PubChem CID 58193991) has the molecular formula C11H15FO5 and a molecular weight of 246.23 g/mol. Its IUPAC name is methyl (1S,2S,4R,5R,6R)-6-fluoro-2-hydroxy-4-propanoyloxybicyclo[3.1.0]hexane-6-carboxylate.

Molecular Properties

Compound Namemethyl (1S,2S,4R,5R,6R)-6-fluoro-2-hydroxy-4-propanoyloxybicyclo[3.1.0]hexane-6-carboxylate
PubChem CID58193991
Molecular FormulaC11H15FO5
Molecular Weight246.23 g/mol
Exact Mass246.09
IUPAC Namemethyl (1S,2S,4R,5R,6R)-6-fluoro-2-hydroxy-4-propanoyloxybicyclo[3.1.0]hexane-6-carboxylate
SMILESCCC(=O)O[C@@H]1C[C@H](O)[C@@H]2[C@H]1[C@@]2(F)C(=O)OC
InChIInChI=1S/C11H15FO5/c1-3-7(14)17-6-4-5(13)8-9(6)11(8,12)10(15)16-2/h5-6,8-9,13H,3-4H2,1-2H3/t5-,6+,8+,9-,11+/m0/s1
InChIKeyRGRSNQPTHLETTK-VISRLPHGSA-N
XLogP0.20
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (1S,2S,4R,5R,6R)-6-fluoro-2-hydroxy-4-propanoyloxybicyclo[3.1.0]hexane-6-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl (1S,2S,4R,5R,6R)-6-fluoro-2-hydroxy-4-propanoyloxybicyclo[3.1.0]hexane-6-carboxylate?
The IUPAC name of methyl (1S,2S,4R,5R,6R)-6-fluoro-2-hydroxy-4-propanoyloxybicyclo[3.1.0]hexane-6-carboxylate (CID 58193991) is methyl (1S,2S,4R,5R,6R)-6-fluoro-2-hydroxy-4-propanoyloxybicyclo[3.1.0]hexane-6-carboxylate.
What is the SMILES notation for methyl (1S,2S,4R,5R,6R)-6-fluoro-2-hydroxy-4-propanoyloxybicyclo[3.1.0]hexane-6-carboxylate?
The canonical SMILES for methyl (1S,2S,4R,5R,6R)-6-fluoro-2-hydroxy-4-propanoyloxybicyclo[3.1.0]hexane-6-carboxylate is CCC(=O)O[C@@H]1C[C@H](O)[C@@H]2[C@H]1[C@@]2(F)C(=O)OC.
What is the InChIKey of methyl (1S,2S,4R,5R,6R)-6-fluoro-2-hydroxy-4-propanoyloxybicyclo[3.1.0]hexane-6-carboxylate?
The InChIKey is RGRSNQPTHLETTK-VISRLPHGSA-N. The full InChI is InChI=1S/C11H15FO5/c1-3-7(14)17-6-4-5(13)8-9(6)11(8,12)10(15)16-2/h5-6,8-9,13H,3-4H2,1-2H3/t5-,6+,8+,9-,11+/m0/s1.
What are the key properties of methyl (1S,2S,4R,5R,6R)-6-fluoro-2-hydroxy-4-propanoyloxybicyclo[3.1.0]hexane-6-carboxylate?
methyl (1S,2S,4R,5R,6R)-6-fluoro-2-hydroxy-4-propanoyloxybicyclo[3.1.0]hexane-6-carboxylate has a molecular weight of 246.23 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,2S,4R,5R,6R)-6-fluoro-2-hydroxy-4-propanoyloxybicyclo[3.1.0]hexane-6-carboxylate is sourced from PubChem (CID 58193991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).