(3aR,8bS)-7-fluoro-3,3a,4,8b-tetrahydroindeno[1,2-b]furan-2-one

C11H9FO2 — CID 118288516

IUPAC(3aR,8bS)-7-fluoro-3,3a,4,8b-tetrahydroindeno[1,2-b]furan-2-one
SMILESO=C1C[C@H]2Cc3ccc(F)cc3[C@H]2O1
InChIInChI=1S/C11H9FO2/c12-8-2-1-6-3-7-4-10(13)14-11(7)9(6)5-8/h1-2,5,7,11H,3-4H2/t7-,11+/m1/s1
InChIKeyWNUMETVZOQJKKN-HQJQHLMTSA-N
MW192.19 g/mol
LogP1.99
Rot. Bonds

About (3aR,8bS)-7-fluoro-3,3a,4,8b-tetrahydroindeno[1,2-b]furan-2-one

(3aR,8bS)-7-fluoro-3,3a,4,8b-tetrahydroindeno[1,2-b]furan-2-one (PubChem CID 118288516) has the molecular formula C11H9FO2 and a molecular weight of 192.19 g/mol. Its IUPAC name is (3aR,8bS)-7-fluoro-3,3a,4,8b-tetrahydroindeno[1,2-b]furan-2-one.

Molecular Properties

Compound Name(3aR,8bS)-7-fluoro-3,3a,4,8b-tetrahydroindeno[1,2-b]furan-2-one
PubChem CID118288516
Molecular FormulaC11H9FO2
Molecular Weight192.19 g/mol
Exact Mass192.06
IUPAC Name(3aR,8bS)-7-fluoro-3,3a,4,8b-tetrahydroindeno[1,2-b]furan-2-one
SMILESO=C1C[C@H]2Cc3ccc(F)cc3[C@H]2O1
InChIInChI=1S/C11H9FO2/c12-8-2-1-6-3-7-4-10(13)14-11(7)9(6)5-8/h1-2,5,7,11H,3-4H2/t7-,11+/m1/s1
InChIKeyWNUMETVZOQJKKN-HQJQHLMTSA-N
XLogP1.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aR,8bS)-7-fluoro-3,3a,4,8b-tetrahydroindeno[1,2-b]furan-2-one?
The IUPAC name of (3aR,8bS)-7-fluoro-3,3a,4,8b-tetrahydroindeno[1,2-b]furan-2-one (CID 118288516) is (3aR,8bS)-7-fluoro-3,3a,4,8b-tetrahydroindeno[1,2-b]furan-2-one.
What is the SMILES notation for (3aR,8bS)-7-fluoro-3,3a,4,8b-tetrahydroindeno[1,2-b]furan-2-one?
The canonical SMILES for (3aR,8bS)-7-fluoro-3,3a,4,8b-tetrahydroindeno[1,2-b]furan-2-one is O=C1C[C@H]2Cc3ccc(F)cc3[C@H]2O1.
What is the InChIKey of (3aR,8bS)-7-fluoro-3,3a,4,8b-tetrahydroindeno[1,2-b]furan-2-one?
The InChIKey is WNUMETVZOQJKKN-HQJQHLMTSA-N. The full InChI is InChI=1S/C11H9FO2/c12-8-2-1-6-3-7-4-10(13)14-11(7)9(6)5-8/h1-2,5,7,11H,3-4H2/t7-,11+/m1/s1.
What are the key properties of (3aR,8bS)-7-fluoro-3,3a,4,8b-tetrahydroindeno[1,2-b]furan-2-one?
(3aR,8bS)-7-fluoro-3,3a,4,8b-tetrahydroindeno[1,2-b]furan-2-one has a molecular weight of 192.19 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,8bS)-7-fluoro-3,3a,4,8b-tetrahydroindeno[1,2-b]furan-2-one is sourced from PubChem (CID 118288516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).