(1R,5R)-1-fluoro-6-oxabicyclo[3.2.1]octan-7-one

C7H9FO2 — CID 140826032

IUPAC(1R,5R)-1-fluoro-6-oxabicyclo[3.2.1]octan-7-one
SMILESO=C1O[C@@H]2CCC[C@@]1(F)C2
InChIInChI=1S/C7H9FO2/c8-7-3-1-2-5(4-7)10-6(7)9/h5H,1-4H2/t5-,7-/m1/s1
InChIKeyHZRRPCQAQUUXLX-IYSWYEEDSA-N
MW144.14 g/mol
LogP1.19
Rot. Bonds

About (1R,5R)-1-fluoro-6-oxabicyclo[3.2.1]octan-7-one

(1R,5R)-1-fluoro-6-oxabicyclo[3.2.1]octan-7-one (PubChem CID 140826032) has the molecular formula C7H9FO2 and a molecular weight of 144.14 g/mol. Its IUPAC name is (1R,5R)-1-fluoro-6-oxabicyclo[3.2.1]octan-7-one.

Molecular Properties

Compound Name(1R,5R)-1-fluoro-6-oxabicyclo[3.2.1]octan-7-one
PubChem CID140826032
Molecular FormulaC7H9FO2
Molecular Weight144.14 g/mol
Exact Mass144.06
IUPAC Name(1R,5R)-1-fluoro-6-oxabicyclo[3.2.1]octan-7-one
SMILESO=C1O[C@@H]2CCC[C@@]1(F)C2
InChIInChI=1S/C7H9FO2/c8-7-3-1-2-5(4-7)10-6(7)9/h5H,1-4H2/t5-,7-/m1/s1
InChIKeyHZRRPCQAQUUXLX-IYSWYEEDSA-N
XLogP1.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.14
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5R)-1-fluoro-6-oxabicyclo[3.2.1]octan-7-one?
The IUPAC name of (1R,5R)-1-fluoro-6-oxabicyclo[3.2.1]octan-7-one (CID 140826032) is (1R,5R)-1-fluoro-6-oxabicyclo[3.2.1]octan-7-one.
What is the SMILES notation for (1R,5R)-1-fluoro-6-oxabicyclo[3.2.1]octan-7-one?
The canonical SMILES for (1R,5R)-1-fluoro-6-oxabicyclo[3.2.1]octan-7-one is O=C1O[C@@H]2CCC[C@@]1(F)C2.
What is the InChIKey of (1R,5R)-1-fluoro-6-oxabicyclo[3.2.1]octan-7-one?
The InChIKey is HZRRPCQAQUUXLX-IYSWYEEDSA-N. The full InChI is InChI=1S/C7H9FO2/c8-7-3-1-2-5(4-7)10-6(7)9/h5H,1-4H2/t5-,7-/m1/s1.
What are the key properties of (1R,5R)-1-fluoro-6-oxabicyclo[3.2.1]octan-7-one?
(1R,5R)-1-fluoro-6-oxabicyclo[3.2.1]octan-7-one has a molecular weight of 144.14 g/mol, XLogP of 1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-1-fluoro-6-oxabicyclo[3.2.1]octan-7-one is sourced from PubChem (CID 140826032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).