ethyl (1S,5R)-6-fluoro-3-oxabicyclo[3.1.0]hexane-6-carboxylate

C8H11FO3 — CID 134933579

IUPACethyl (1S,5R)-6-fluoro-3-oxabicyclo[3.1.0]hexane-6-carboxylate
SMILESCCOC(=O)C1(F)[C@@H]2COC[C@@H]21
InChIInChI=1S/C8H11FO3/c1-2-12-7(10)8(9)5-3-11-4-6(5)8/h5-6H,2-4H2,1H3/t5-,6+,8?
InChIKeyOJOHLMXZKFNKEJ-OFWQXNEASA-N
MW174.17 g/mol
LogP0.53
Rot. Bonds2

About ethyl (1S,5R)-6-fluoro-3-oxabicyclo[3.1.0]hexane-6-carboxylate

ethyl (1S,5R)-6-fluoro-3-oxabicyclo[3.1.0]hexane-6-carboxylate (PubChem CID 134933579) has the molecular formula C8H11FO3 and a molecular weight of 174.17 g/mol. Its IUPAC name is ethyl (1S,5R)-6-fluoro-3-oxabicyclo[3.1.0]hexane-6-carboxylate.

Molecular Properties

Compound Nameethyl (1S,5R)-6-fluoro-3-oxabicyclo[3.1.0]hexane-6-carboxylate
PubChem CID134933579
Molecular FormulaC8H11FO3
Molecular Weight174.17 g/mol
Exact Mass174.07
IUPAC Nameethyl (1S,5R)-6-fluoro-3-oxabicyclo[3.1.0]hexane-6-carboxylate
SMILESCCOC(=O)C1(F)[C@@H]2COC[C@@H]21
InChIInChI=1S/C8H11FO3/c1-2-12-7(10)8(9)5-3-11-4-6(5)8/h5-6H,2-4H2,1H3/t5-,6+,8?
InChIKeyOJOHLMXZKFNKEJ-OFWQXNEASA-N
XLogP0.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.17
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (1S,5R)-6-fluoro-3-oxabicyclo[3.1.0]hexane-6-carboxylate?
The IUPAC name of ethyl (1S,5R)-6-fluoro-3-oxabicyclo[3.1.0]hexane-6-carboxylate (CID 134933579) is ethyl (1S,5R)-6-fluoro-3-oxabicyclo[3.1.0]hexane-6-carboxylate.
What is the SMILES notation for ethyl (1S,5R)-6-fluoro-3-oxabicyclo[3.1.0]hexane-6-carboxylate?
The canonical SMILES for ethyl (1S,5R)-6-fluoro-3-oxabicyclo[3.1.0]hexane-6-carboxylate is CCOC(=O)C1(F)[C@@H]2COC[C@@H]21.
What is the InChIKey of ethyl (1S,5R)-6-fluoro-3-oxabicyclo[3.1.0]hexane-6-carboxylate?
The InChIKey is OJOHLMXZKFNKEJ-OFWQXNEASA-N. The full InChI is InChI=1S/C8H11FO3/c1-2-12-7(10)8(9)5-3-11-4-6(5)8/h5-6H,2-4H2,1H3/t5-,6+,8?.
What are the key properties of ethyl (1S,5R)-6-fluoro-3-oxabicyclo[3.1.0]hexane-6-carboxylate?
ethyl (1S,5R)-6-fluoro-3-oxabicyclo[3.1.0]hexane-6-carboxylate has a molecular weight of 174.17 g/mol, XLogP of 0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1S,5R)-6-fluoro-3-oxabicyclo[3.1.0]hexane-6-carboxylate is sourced from PubChem (CID 134933579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).