(3R,3'S)-3'-(4-fluorobenzoyl)spiro[1H-indole-3,2'-oxirane]-2-one

C16H10FNO3 — CID 708439

IUPAC(3R,3'S)-3'-(4-fluorobenzoyl)spiro[1H-indole-3,2'-oxirane]-2-one
SMILESO=C(c1ccc(F)cc1)[C@H]1O[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C16H10FNO3/c17-10-7-5-9(6-8-10)13(19)14-16(21-14)11-3-1-2-4-12(11)18-15(16)20/h1-8,14H,(H,18,20)/t14-,16-/m1/s1
InChIKeyGRLMMJUBBUSSIX-GDBMZVCRSA-N
MW283.26 g/mol
LogP2.25
Rot. Bonds2

About (3R,3'S)-3'-(4-fluorobenzoyl)spiro[1H-indole-3,2'-oxirane]-2-one

(3R,3'S)-3'-(4-fluorobenzoyl)spiro[1H-indole-3,2'-oxirane]-2-one (PubChem CID 708439) has the molecular formula C16H10FNO3 and a molecular weight of 283.26 g/mol. Its IUPAC name is (3R,3'S)-3'-(4-fluorobenzoyl)spiro[1H-indole-3,2'-oxirane]-2-one.

Molecular Properties

Compound Name(3R,3'S)-3'-(4-fluorobenzoyl)spiro[1H-indole-3,2'-oxirane]-2-one
PubChem CID708439
Molecular FormulaC16H10FNO3
Molecular Weight283.26 g/mol
Exact Mass283.06
IUPAC Name(3R,3'S)-3'-(4-fluorobenzoyl)spiro[1H-indole-3,2'-oxirane]-2-one
SMILESO=C(c1ccc(F)cc1)[C@H]1O[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C16H10FNO3/c17-10-7-5-9(6-8-10)13(19)14-16(21-14)11-3-1-2-4-12(11)18-15(16)20/h1-8,14H,(H,18,20)/t14-,16-/m1/s1
InChIKeyGRLMMJUBBUSSIX-GDBMZVCRSA-N
XLogP2.25
TPSA58.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (3R,3'S)-3'-(4-fluorobenzoyl)spiro[1H-indole-3,2'-oxirane]-2-one?
The IUPAC name of (3R,3'S)-3'-(4-fluorobenzoyl)spiro[1H-indole-3,2'-oxirane]-2-one (CID 708439) is (3R,3'S)-3'-(4-fluorobenzoyl)spiro[1H-indole-3,2'-oxirane]-2-one.
What is the SMILES notation for (3R,3'S)-3'-(4-fluorobenzoyl)spiro[1H-indole-3,2'-oxirane]-2-one?
The canonical SMILES for (3R,3'S)-3'-(4-fluorobenzoyl)spiro[1H-indole-3,2'-oxirane]-2-one is O=C(c1ccc(F)cc1)[C@H]1O[C@@]12C(=O)Nc1ccccc12.
What is the InChIKey of (3R,3'S)-3'-(4-fluorobenzoyl)spiro[1H-indole-3,2'-oxirane]-2-one?
The InChIKey is GRLMMJUBBUSSIX-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H10FNO3/c17-10-7-5-9(6-8-10)13(19)14-16(21-14)11-3-1-2-4-12(11)18-15(16)20/h1-8,14H,(H,18,20)/t14-,16-/m1/s1.
What are the key properties of (3R,3'S)-3'-(4-fluorobenzoyl)spiro[1H-indole-3,2'-oxirane]-2-one?
(3R,3'S)-3'-(4-fluorobenzoyl)spiro[1H-indole-3,2'-oxirane]-2-one has a molecular weight of 283.26 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3'S)-3'-(4-fluorobenzoyl)spiro[1H-indole-3,2'-oxirane]-2-one is sourced from PubChem (CID 708439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).