(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-fluoropropanoate

C10H13FO4 — CID 58225894

IUPAC(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-fluoropropanoate
SMILESCC(F)C(=O)OC1CCC2CC1OC2=O
InChIInChI=1S/C10H13FO4/c1-5(11)9(12)14-7-3-2-6-4-8(7)15-10(6)13/h5-8H,2-4H2,1H3
InChIKeyGJPXBLCBXLKJSQ-UHFFFAOYSA-N
MW216.21 g/mol
LogP0.98
Rot. Bonds2

About (7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-fluoropropanoate

(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-fluoropropanoate (PubChem CID 58225894) has the molecular formula C10H13FO4 and a molecular weight of 216.21 g/mol. Its IUPAC name is (7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-fluoropropanoate.

Molecular Properties

Compound Name(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-fluoropropanoate
PubChem CID58225894
Molecular FormulaC10H13FO4
Molecular Weight216.21 g/mol
Exact Mass216.08
IUPAC Name(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-fluoropropanoate
SMILESCC(F)C(=O)OC1CCC2CC1OC2=O
InChIInChI=1S/C10H13FO4/c1-5(11)9(12)14-7-3-2-6-4-8(7)15-10(6)13/h5-8H,2-4H2,1H3
InChIKeyGJPXBLCBXLKJSQ-UHFFFAOYSA-N
XLogP0.98
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-fluoropropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Oxabicyclo[3.2.1]octan-7-one, 4-hydroxy-, (1R,4R,5R)-
CID 10898815
4-Hydroxy-6-oxabicyclo[3.2.1]octan-7-one
CID 150116
(3-Methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate
CID 57760043
(3-Methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoro-2-(trioxidanylsulfanyl)acetate
CID 57760044
(4-Methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate
CID 57760050
(4-Methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoro-2-(trioxidanylsulfanyl)acetate
CID 57760051
(7-Oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate
CID 57760177
(7-Oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoro-2-(trioxidanylsulfanyl)acetate
CID 57760178
(7-Oxo-6-oxabicyclo[3.2.1]octan-4-yl) 3,3,3-trifluoro-2-oxidoperoxysulfanyl-2-(trifluoromethyl)propanoate
CID 57760217
(7-Oxo-6-oxabicyclo[3.2.1]octan-4-yl) 3,3,3-trifluoro-2-(trifluoromethyl)-2-(trioxidanylsulfanyl)propanoate
CID 57760218
(5-Methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate
CID 57760627
(7-Oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate
CID 57760635

Frequently Asked Questions

What is the IUPAC name of (7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-fluoropropanoate?
The IUPAC name of (7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-fluoropropanoate (CID 58225894) is (7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-fluoropropanoate.
What is the SMILES notation for (7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-fluoropropanoate?
The canonical SMILES for (7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-fluoropropanoate is CC(F)C(=O)OC1CCC2CC1OC2=O.
What is the InChIKey of (7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-fluoropropanoate?
The InChIKey is GJPXBLCBXLKJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO4/c1-5(11)9(12)14-7-3-2-6-4-8(7)15-10(6)13/h5-8H,2-4H2,1H3.
What are the key properties of (7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-fluoropropanoate?
(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-fluoropropanoate has a molecular weight of 216.21 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-fluoropropanoate is sourced from PubChem (CID 58225894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).