(1aR,6aS)-5-fluoro-6,6a-dihydro-1aH-indeno[1,2-b]oxirene

C9H7FO — CID 51601335

IUPAC(1aR,6aS)-5-fluoro-6,6a-dihydro-1aH-indeno[1,2-b]oxirene
SMILESFc1cccc2c1C[C@@H]1O[C@H]21
InChIInChI=1S/C9H7FO/c10-7-3-1-2-5-6(7)4-8-9(5)11-8/h1-3,8-9H,4H2/t8-,9+/m0/s1
InChIKeyRULQWECAZVIBNL-DTWKUNHWSA-N
MW150.15 g/mol
LogP1.82
Rot. Bonds

About (1aR,6aS)-5-fluoro-6,6a-dihydro-1aH-indeno[1,2-b]oxirene

(1aR,6aS)-5-fluoro-6,6a-dihydro-1aH-indeno[1,2-b]oxirene (PubChem CID 51601335) has the molecular formula C9H7FO and a molecular weight of 150.15 g/mol. Its IUPAC name is (1aR,6aS)-5-fluoro-6,6a-dihydro-1aH-indeno[1,2-b]oxirene.

Molecular Properties

Compound Name(1aR,6aS)-5-fluoro-6,6a-dihydro-1aH-indeno[1,2-b]oxirene
PubChem CID51601335
Molecular FormulaC9H7FO
Molecular Weight150.15 g/mol
Exact Mass150.05
IUPAC Name(1aR,6aS)-5-fluoro-6,6a-dihydro-1aH-indeno[1,2-b]oxirene
SMILESFc1cccc2c1C[C@@H]1O[C@H]21
InChIInChI=1S/C9H7FO/c10-7-3-1-2-5-6(7)4-8-9(5)11-8/h1-3,8-9H,4H2/t8-,9+/m0/s1
InChIKeyRULQWECAZVIBNL-DTWKUNHWSA-N
XLogP1.82
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.15
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1aR,6aS)-5-fluoro-6,6a-dihydro-1aH-indeno[1,2-b]oxirene?
The IUPAC name of (1aR,6aS)-5-fluoro-6,6a-dihydro-1aH-indeno[1,2-b]oxirene (CID 51601335) is (1aR,6aS)-5-fluoro-6,6a-dihydro-1aH-indeno[1,2-b]oxirene.
What is the SMILES notation for (1aR,6aS)-5-fluoro-6,6a-dihydro-1aH-indeno[1,2-b]oxirene?
The canonical SMILES for (1aR,6aS)-5-fluoro-6,6a-dihydro-1aH-indeno[1,2-b]oxirene is Fc1cccc2c1C[C@@H]1O[C@H]21.
What is the InChIKey of (1aR,6aS)-5-fluoro-6,6a-dihydro-1aH-indeno[1,2-b]oxirene?
The InChIKey is RULQWECAZVIBNL-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H7FO/c10-7-3-1-2-5-6(7)4-8-9(5)11-8/h1-3,8-9H,4H2/t8-,9+/m0/s1.
What are the key properties of (1aR,6aS)-5-fluoro-6,6a-dihydro-1aH-indeno[1,2-b]oxirene?
(1aR,6aS)-5-fluoro-6,6a-dihydro-1aH-indeno[1,2-b]oxirene has a molecular weight of 150.15 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1aR,6aS)-5-fluoro-6,6a-dihydro-1aH-indeno[1,2-b]oxirene is sourced from PubChem (CID 51601335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).