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

C8H11FO4 — CID 53466234

IUPACmethyl (1S,2S,4R,5R)-6-fluoro-2,4-dihydroxybicyclo[3.1.0]hexane-6-carboxylate
SMILESCOC(=O)C1(F)[C@@H]2[C@H]1[C@@H](O)C[C@H]2O
InChIInChI=1S/C8H11FO4/c1-13-7(12)8(9)5-3(10)2-4(11)6(5)8/h3-6,10-11H,2H2,1H3/t3-,4+,5+,6-,8?
InChIKeyJZEREEBRVMAWCL-BZHXMOAMSA-N
MW190.17 g/mol
LogP-0.76
Rot. Bonds1

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

methyl (1S,2S,4R,5R)-6-fluoro-2,4-dihydroxybicyclo[3.1.0]hexane-6-carboxylate (PubChem CID 53466234) has the molecular formula C8H11FO4 and a molecular weight of 190.17 g/mol. Its IUPAC name is methyl (1S,2S,4R,5R)-6-fluoro-2,4-dihydroxybicyclo[3.1.0]hexane-6-carboxylate.

Molecular Properties

Compound Namemethyl (1S,2S,4R,5R)-6-fluoro-2,4-dihydroxybicyclo[3.1.0]hexane-6-carboxylate
PubChem CID53466234
Molecular FormulaC8H11FO4
Molecular Weight190.17 g/mol
Exact Mass190.06
IUPAC Namemethyl (1S,2S,4R,5R)-6-fluoro-2,4-dihydroxybicyclo[3.1.0]hexane-6-carboxylate
SMILESCOC(=O)C1(F)[C@@H]2[C@H]1[C@@H](O)C[C@H]2O
InChIInChI=1S/C8H11FO4/c1-13-7(12)8(9)5-3(10)2-4(11)6(5)8/h3-6,10-11H,2H2,1H3/t3-,4+,5+,6-,8?
InChIKeyJZEREEBRVMAWCL-BZHXMOAMSA-N
XLogP-0.76
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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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 (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
Methyl (1S,2S,4R,5R,6S)-2-(acetyloxy)-6-fluoro-4-hydroxybicyclo [3.1.0] hexane-6-carboxylate
CID 53466235

Frequently Asked Questions

What is the IUPAC name of methyl (1S,2S,4R,5R)-6-fluoro-2,4-dihydroxybicyclo[3.1.0]hexane-6-carboxylate?
The IUPAC name of methyl (1S,2S,4R,5R)-6-fluoro-2,4-dihydroxybicyclo[3.1.0]hexane-6-carboxylate (CID 53466234) is methyl (1S,2S,4R,5R)-6-fluoro-2,4-dihydroxybicyclo[3.1.0]hexane-6-carboxylate.
What is the SMILES notation for methyl (1S,2S,4R,5R)-6-fluoro-2,4-dihydroxybicyclo[3.1.0]hexane-6-carboxylate?
The canonical SMILES for methyl (1S,2S,4R,5R)-6-fluoro-2,4-dihydroxybicyclo[3.1.0]hexane-6-carboxylate is COC(=O)C1(F)[C@@H]2[C@H]1[C@@H](O)C[C@H]2O.
What is the InChIKey of methyl (1S,2S,4R,5R)-6-fluoro-2,4-dihydroxybicyclo[3.1.0]hexane-6-carboxylate?
The InChIKey is JZEREEBRVMAWCL-BZHXMOAMSA-N. The full InChI is InChI=1S/C8H11FO4/c1-13-7(12)8(9)5-3(10)2-4(11)6(5)8/h3-6,10-11H,2H2,1H3/t3-,4+,5+,6-,8?.
What are the key properties of methyl (1S,2S,4R,5R)-6-fluoro-2,4-dihydroxybicyclo[3.1.0]hexane-6-carboxylate?
methyl (1S,2S,4R,5R)-6-fluoro-2,4-dihydroxybicyclo[3.1.0]hexane-6-carboxylate has a molecular weight of 190.17 g/mol, XLogP of -0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,2S,4R,5R)-6-fluoro-2,4-dihydroxybicyclo[3.1.0]hexane-6-carboxylate is sourced from PubChem (CID 53466234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).