(1S,5R)-1-(3-fluorophenyl)-3-oxabicyclo[3.1.0]hexan-2-one

C11H9FO2 — CID 67281781

IUPAC(1S,5R)-1-(3-fluorophenyl)-3-oxabicyclo[3.1.0]hexan-2-one
SMILESO=C1OC[C@@H]2C[C@]12c1cccc(F)c1
InChIInChI=1S/C11H9FO2/c12-9-3-1-2-7(4-9)11-5-8(11)6-14-10(11)13/h1-4,8H,5-6H2/t8-,11+/m0/s1
InChIKeyZIGLZWUYYGXYOO-GZMMTYOYSA-N
MW192.19 g/mol
LogP1.64
Rot. Bonds1

About (1S,5R)-1-(3-fluorophenyl)-3-oxabicyclo[3.1.0]hexan-2-one

(1S,5R)-1-(3-fluorophenyl)-3-oxabicyclo[3.1.0]hexan-2-one (PubChem CID 67281781) has the molecular formula C11H9FO2 and a molecular weight of 192.19 g/mol. Its IUPAC name is (1S,5R)-1-(3-fluorophenyl)-3-oxabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name(1S,5R)-1-(3-fluorophenyl)-3-oxabicyclo[3.1.0]hexan-2-one
PubChem CID67281781
Molecular FormulaC11H9FO2
Molecular Weight192.19 g/mol
Exact Mass192.06
IUPAC Name(1S,5R)-1-(3-fluorophenyl)-3-oxabicyclo[3.1.0]hexan-2-one
SMILESO=C1OC[C@@H]2C[C@]12c1cccc(F)c1
InChIInChI=1S/C11H9FO2/c12-9-3-1-2-7(4-9)11-5-8(11)6-14-10(11)13/h1-4,8H,5-6H2/t8-,11+/m0/s1
InChIKeyZIGLZWUYYGXYOO-GZMMTYOYSA-N
XLogP1.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-1-(3-fluorophenyl)-3-oxabicyclo[3.1.0]hexan-2-one?
The IUPAC name of (1S,5R)-1-(3-fluorophenyl)-3-oxabicyclo[3.1.0]hexan-2-one (CID 67281781) is (1S,5R)-1-(3-fluorophenyl)-3-oxabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for (1S,5R)-1-(3-fluorophenyl)-3-oxabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for (1S,5R)-1-(3-fluorophenyl)-3-oxabicyclo[3.1.0]hexan-2-one is O=C1OC[C@@H]2C[C@]12c1cccc(F)c1.
What is the InChIKey of (1S,5R)-1-(3-fluorophenyl)-3-oxabicyclo[3.1.0]hexan-2-one?
The InChIKey is ZIGLZWUYYGXYOO-GZMMTYOYSA-N. The full InChI is InChI=1S/C11H9FO2/c12-9-3-1-2-7(4-9)11-5-8(11)6-14-10(11)13/h1-4,8H,5-6H2/t8-,11+/m0/s1.
What are the key properties of (1S,5R)-1-(3-fluorophenyl)-3-oxabicyclo[3.1.0]hexan-2-one?
(1S,5R)-1-(3-fluorophenyl)-3-oxabicyclo[3.1.0]hexan-2-one has a molecular weight of 192.19 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-1-(3-fluorophenyl)-3-oxabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 67281781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).