6-(2,4-dichloro-6-fluorophenyl)-1-oxa-6-azaspiro[2.5]octane

C12H12Cl2FNO — CID 118904876

IUPAC6-(2,4-dichloro-6-fluorophenyl)-1-oxa-6-azaspiro[2.5]octane
SMILESFc1cc(Cl)cc(Cl)c1N1CCC2(CC1)CO2
InChIInChI=1S/C12H12Cl2FNO/c13-8-5-9(14)11(10(15)6-8)16-3-1-12(2-4-16)7-17-12/h5-6H,1-4,7H2
InChIKeyPELKADCVRANEMC-UHFFFAOYSA-N
MW276.14 g/mol
LogP3.50
Rot. Bonds1

About 6-(2,4-dichloro-6-fluorophenyl)-1-oxa-6-azaspiro[2.5]octane

6-(2,4-dichloro-6-fluorophenyl)-1-oxa-6-azaspiro[2.5]octane (PubChem CID 118904876) has the molecular formula C12H12Cl2FNO and a molecular weight of 276.14 g/mol. Its IUPAC name is 6-(2,4-dichloro-6-fluorophenyl)-1-oxa-6-azaspiro[2.5]octane.

Molecular Properties

Compound Name6-(2,4-dichloro-6-fluorophenyl)-1-oxa-6-azaspiro[2.5]octane
PubChem CID118904876
Molecular FormulaC12H12Cl2FNO
Molecular Weight276.14 g/mol
Exact Mass275.03
IUPAC Name6-(2,4-dichloro-6-fluorophenyl)-1-oxa-6-azaspiro[2.5]octane
SMILESFc1cc(Cl)cc(Cl)c1N1CCC2(CC1)CO2
InChIInChI=1S/C12H12Cl2FNO/c13-8-5-9(14)11(10(15)6-8)16-3-1-12(2-4-16)7-17-12/h5-6H,1-4,7H2
InChIKeyPELKADCVRANEMC-UHFFFAOYSA-N
XLogP3.50
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.14
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 6-(2,4-dichloro-6-fluorophenyl)-1-oxa-6-azaspiro[2.5]octane?
The IUPAC name of 6-(2,4-dichloro-6-fluorophenyl)-1-oxa-6-azaspiro[2.5]octane (CID 118904876) is 6-(2,4-dichloro-6-fluorophenyl)-1-oxa-6-azaspiro[2.5]octane.
What is the SMILES notation for 6-(2,4-dichloro-6-fluorophenyl)-1-oxa-6-azaspiro[2.5]octane?
The canonical SMILES for 6-(2,4-dichloro-6-fluorophenyl)-1-oxa-6-azaspiro[2.5]octane is Fc1cc(Cl)cc(Cl)c1N1CCC2(CC1)CO2.
What is the InChIKey of 6-(2,4-dichloro-6-fluorophenyl)-1-oxa-6-azaspiro[2.5]octane?
The InChIKey is PELKADCVRANEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2FNO/c13-8-5-9(14)11(10(15)6-8)16-3-1-12(2-4-16)7-17-12/h5-6H,1-4,7H2.
What are the key properties of 6-(2,4-dichloro-6-fluorophenyl)-1-oxa-6-azaspiro[2.5]octane?
6-(2,4-dichloro-6-fluorophenyl)-1-oxa-6-azaspiro[2.5]octane has a molecular weight of 276.14 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dichloro-6-fluorophenyl)-1-oxa-6-azaspiro[2.5]octane is sourced from PubChem (CID 118904876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).