methyl 2-fluoro-2-(6-oxabicyclo[3.1.0]hexan-2-yl)acetate

C8H11FO3 — CID 143048725

IUPACmethyl 2-fluoro-2-(6-oxabicyclo[3.1.0]hexan-2-yl)acetate
SMILESCOC(=O)C(F)C1CCC2OC21
InChIInChI=1S/C8H11FO3/c1-11-8(10)6(9)4-2-3-5-7(4)12-5/h4-7H,2-3H2,1H3
InChIKeyAFQYUEZPDOPGJS-UHFFFAOYSA-N
MW174.17 g/mol
LogP0.67
Rot. Bonds2

About methyl 2-fluoro-2-(6-oxabicyclo[3.1.0]hexan-2-yl)acetate

methyl 2-fluoro-2-(6-oxabicyclo[3.1.0]hexan-2-yl)acetate (PubChem CID 143048725) has the molecular formula C8H11FO3 and a molecular weight of 174.17 g/mol. Its IUPAC name is methyl 2-fluoro-2-(6-oxabicyclo[3.1.0]hexan-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-fluoro-2-(6-oxabicyclo[3.1.0]hexan-2-yl)acetate
PubChem CID143048725
Molecular FormulaC8H11FO3
Molecular Weight174.17 g/mol
Exact Mass174.07
IUPAC Namemethyl 2-fluoro-2-(6-oxabicyclo[3.1.0]hexan-2-yl)acetate
SMILESCOC(=O)C(F)C1CCC2OC21
InChIInChI=1S/C8H11FO3/c1-11-8(10)6(9)4-2-3-5-7(4)12-5/h4-7H,2-3H2,1H3
InChIKeyAFQYUEZPDOPGJS-UHFFFAOYSA-N
XLogP0.67
TPSA38.83 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 ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

Methyl 6-oxabicyclo[3.1.0]hexane-3-carboxylate
CID 13173315
methyl 2-{6-oxabicyclo[3.1.0]hexan-2-yl}acetate, Mixture of diastereomers
CID 73120746
methyl (2S)-2-fluoro-2-[(1R,2S,3R,5S)-3-hydroxy-6-oxabicyclo[3.1.0]hexan-2-yl]acetate
CID 11506604
methyl (2S)-2-[(1R,2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxabicyclo[3.1.0]hexan-2-yl]-2-fluoroacetate
CID 11536801
Ethyl (1S,5R)-6-oxabicyclo[3.1.0]hexane-3-carboxylate
CID 10583016
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-[(1S,5S)-4,4-difluoro-3-hydroxy-6-oxabicyclo[3.1.0]hexan-2-yl]-2,2-difluoroacetate
CID 22819799
methyl 2-[(1S,5S)-4,4-difluoro-3-hydroxy-6-oxabicyclo[3.1.0]hexan-2-yl]acetate
CID 53780395
methyl 2-fluoro-2-[(1S,2R,3S,5R)-3-hydroxy-6-oxabicyclo[3.1.0]hexan-2-yl]acetate
CID 58193982
Methyl((1r,2r,3r,5s)-3-{[tert-butyl(dimethyl)silyl]oxy}-6-oxabicyclo[3.1.0]hex-2-yl)fluoroacetate
CID 59434305
Methyl fluoro[(1R,2S,3R,5S)-3-hydroxy-6-oxabicyclo[3.1.0]hex-2-yl]acetate
CID 59434307

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-2-(6-oxabicyclo[3.1.0]hexan-2-yl)acetate?
The IUPAC name of methyl 2-fluoro-2-(6-oxabicyclo[3.1.0]hexan-2-yl)acetate (CID 143048725) is methyl 2-fluoro-2-(6-oxabicyclo[3.1.0]hexan-2-yl)acetate.
What is the SMILES notation for methyl 2-fluoro-2-(6-oxabicyclo[3.1.0]hexan-2-yl)acetate?
The canonical SMILES for methyl 2-fluoro-2-(6-oxabicyclo[3.1.0]hexan-2-yl)acetate is COC(=O)C(F)C1CCC2OC21.
What is the InChIKey of methyl 2-fluoro-2-(6-oxabicyclo[3.1.0]hexan-2-yl)acetate?
The InChIKey is AFQYUEZPDOPGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FO3/c1-11-8(10)6(9)4-2-3-5-7(4)12-5/h4-7H,2-3H2,1H3.
What are the key properties of methyl 2-fluoro-2-(6-oxabicyclo[3.1.0]hexan-2-yl)acetate?
methyl 2-fluoro-2-(6-oxabicyclo[3.1.0]hexan-2-yl)acetate has a molecular weight of 174.17 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-2-(6-oxabicyclo[3.1.0]hexan-2-yl)acetate is sourced from PubChem (CID 143048725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).