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

C10H13FO5 — CID 58193974

IUPACmethyl (1R,4S,5S,6R)-2-acetyloxy-6-fluoro-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate
SMILESCOC(=O)[C@@]1(F)[C@@H]2[C@@H](O)CC(OC(C)=O)[C@@H]21
InChIInChI=1S/C10H13FO5/c1-4(12)16-6-3-5(13)7-8(6)10(7,11)9(14)15-2/h5-8,13H,3H2,1-2H3/t5-,6?,7+,8-,10+/m0/s1
InChIKeyZYLGIBUTDRZVNJ-QCNVBWHVSA-N
MW232.21 g/mol
LogP-0.19
Rot. Bonds2

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

methyl (1R,4S,5S,6R)-2-acetyloxy-6-fluoro-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate (PubChem CID 58193974) has the molecular formula C10H13FO5 and a molecular weight of 232.21 g/mol. Its IUPAC name is methyl (1R,4S,5S,6R)-2-acetyloxy-6-fluoro-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate.

Molecular Properties

Compound Namemethyl (1R,4S,5S,6R)-2-acetyloxy-6-fluoro-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate
PubChem CID58193974
Molecular FormulaC10H13FO5
Molecular Weight232.21 g/mol
Exact Mass232.07
IUPAC Namemethyl (1R,4S,5S,6R)-2-acetyloxy-6-fluoro-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate
SMILESCOC(=O)[C@@]1(F)[C@@H]2[C@@H](O)CC(OC(C)=O)[C@@H]21
InChIInChI=1S/C10H13FO5/c1-4(12)16-6-3-5(13)7-8(6)10(7,11)9(14)15-2/h5-8,13H,3H2,1-2H3/t5-,6?,7+,8-,10+/m0/s1
InChIKeyZYLGIBUTDRZVNJ-QCNVBWHVSA-N
XLogP-0.19
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of methyl (1R,4S,5S,6R)-2-acetyloxy-6-fluoro-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate?
The IUPAC name of methyl (1R,4S,5S,6R)-2-acetyloxy-6-fluoro-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate (CID 58193974) is methyl (1R,4S,5S,6R)-2-acetyloxy-6-fluoro-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate.
What is the SMILES notation for methyl (1R,4S,5S,6R)-2-acetyloxy-6-fluoro-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate?
The canonical SMILES for methyl (1R,4S,5S,6R)-2-acetyloxy-6-fluoro-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate is COC(=O)[C@@]1(F)[C@@H]2[C@@H](O)CC(OC(C)=O)[C@@H]21.
What is the InChIKey of methyl (1R,4S,5S,6R)-2-acetyloxy-6-fluoro-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate?
The InChIKey is ZYLGIBUTDRZVNJ-QCNVBWHVSA-N. The full InChI is InChI=1S/C10H13FO5/c1-4(12)16-6-3-5(13)7-8(6)10(7,11)9(14)15-2/h5-8,13H,3H2,1-2H3/t5-,6?,7+,8-,10+/m0/s1.
What are the key properties of methyl (1R,4S,5S,6R)-2-acetyloxy-6-fluoro-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate?
methyl (1R,4S,5S,6R)-2-acetyloxy-6-fluoro-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate has a molecular weight of 232.21 g/mol, XLogP of -0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,4S,5S,6R)-2-acetyloxy-6-fluoro-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate is sourced from PubChem (CID 58193974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).