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

C11H15FO5 — CID 58193990

IUPACmethyl (1R,2R,4S,5S,6S)-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+/m1/s1
InChIKeyRGRSNQPTHLETTK-JYBQHZSLSA-N
MW246.23 g/mol
LogP0.20
Rot. Bonds3

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

methyl (1R,2R,4S,5S,6S)-6-fluoro-2-hydroxy-4-propanoyloxybicyclo[3.1.0]hexane-6-carboxylate (PubChem CID 58193990) has the molecular formula C11H15FO5 and a molecular weight of 246.23 g/mol. Its IUPAC name is methyl (1R,2R,4S,5S,6S)-6-fluoro-2-hydroxy-4-propanoyloxybicyclo[3.1.0]hexane-6-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2R,4S,5S,6S)-6-fluoro-2-hydroxy-4-propanoyloxybicyclo[3.1.0]hexane-6-carboxylate
PubChem CID58193990
Molecular FormulaC11H15FO5
Molecular Weight246.23 g/mol
Exact Mass246.09
IUPAC Namemethyl (1R,2R,4S,5S,6S)-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+/m1/s1
InChIKeyRGRSNQPTHLETTK-JYBQHZSLSA-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 (1R,2R,4S,5S,6S)-6-fluoro-2-hydroxy-4-propanoyloxybicyclo[3.1.0]hexane-6-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl (2S)-2-fluoro-2-[(1R,2S,3R,5S)-3-hydroxy-6-oxabicyclo[3.1.0]hexan-2-yl]acetate
CID 11506604
Methyl(1R,2R,5S,6S)-6-fluoro-2-hydroxy-4-oxobicyclo[3.1.0]hexane-6-carboxylate
CID 11665535
Methyl(1R,2R,4S,5S,6R)-2-{[tert-butyl(dimethyl)silyl]oxy}-6-fluoro-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate
CID 11681051
ethyl (1R,2R,5S,6R)-2-hydroxybicyclo[3.1.0]hexane-6-carboxylate
CID 178199945
ethyl (1S,2S,5R,6S)-2-hydroxybicyclo[3.1.0]hexane-6-carboxylate
CID 178200167
ethyl (1R,5S,6S)-6-fluoro-2-hydroxy-4-oxobicyclo[3.1.0]hexane-6-carboxylate
CID 134895259
Ethyl 1-hydroxybicyclo[3.1.0]hexane-3-carboxylate
CID 71427974
ethyl (1S,2S,5S,6S)-6-fluoro-2-hydroxybicyclo[3.1.0]hexane-6-carboxylate
CID 11424020
Methyl 2-(4,4-difluoro-3-hydroxy-6-oxabicyclo[3.1.0]hexan-2-yl)acetate
CID 12961493
Methyl 2-(3,3-difluoro-2,4-dihydroxycyclopentyl)acetate
CID 20451969
Methyl 6-fluoro-2-hydroxy-4-oxobicyclo[3.1.0]hexane-6-carboxylate
CID 20715391
methyl 2-[(1S,5S)-4,4-difluoro-3-hydroxy-6-oxabicyclo[3.1.0]hexan-2-yl]-2,2-difluoroacetate
CID 22819799

Frequently Asked Questions

What is the IUPAC name of methyl (1R,2R,4S,5S,6S)-6-fluoro-2-hydroxy-4-propanoyloxybicyclo[3.1.0]hexane-6-carboxylate?
The IUPAC name of methyl (1R,2R,4S,5S,6S)-6-fluoro-2-hydroxy-4-propanoyloxybicyclo[3.1.0]hexane-6-carboxylate (CID 58193990) is methyl (1R,2R,4S,5S,6S)-6-fluoro-2-hydroxy-4-propanoyloxybicyclo[3.1.0]hexane-6-carboxylate.
What is the SMILES notation for methyl (1R,2R,4S,5S,6S)-6-fluoro-2-hydroxy-4-propanoyloxybicyclo[3.1.0]hexane-6-carboxylate?
The canonical SMILES for methyl (1R,2R,4S,5S,6S)-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 (1R,2R,4S,5S,6S)-6-fluoro-2-hydroxy-4-propanoyloxybicyclo[3.1.0]hexane-6-carboxylate?
The InChIKey is RGRSNQPTHLETTK-JYBQHZSLSA-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+/m1/s1.
What are the key properties of methyl (1R,2R,4S,5S,6S)-6-fluoro-2-hydroxy-4-propanoyloxybicyclo[3.1.0]hexane-6-carboxylate?
methyl (1R,2R,4S,5S,6S)-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 (1R,2R,4S,5S,6S)-6-fluoro-2-hydroxy-4-propanoyloxybicyclo[3.1.0]hexane-6-carboxylate is sourced from PubChem (CID 58193990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).