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

C12H13ClFNO — CID 118904081

IUPAC6-(4-chloro-2-fluorophenyl)-1-oxa-6-azaspiro[2.5]octane
SMILESFc1cc(Cl)ccc1N1CCC2(CC1)CO2
InChIInChI=1S/C12H13ClFNO/c13-9-1-2-11(10(14)7-9)15-5-3-12(4-6-15)8-16-12/h1-2,7H,3-6,8H2
InChIKeyGNGGITUAGIGMQF-UHFFFAOYSA-N
MW241.69 g/mol
LogP2.85
Rot. Bonds1

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

6-(4-chloro-2-fluorophenyl)-1-oxa-6-azaspiro[2.5]octane (PubChem CID 118904081) has the molecular formula C12H13ClFNO and a molecular weight of 241.69 g/mol. Its IUPAC name is 6-(4-chloro-2-fluorophenyl)-1-oxa-6-azaspiro[2.5]octane.

Molecular Properties

Compound Name6-(4-chloro-2-fluorophenyl)-1-oxa-6-azaspiro[2.5]octane
PubChem CID118904081
Molecular FormulaC12H13ClFNO
Molecular Weight241.69 g/mol
Exact Mass241.07
IUPAC Name6-(4-chloro-2-fluorophenyl)-1-oxa-6-azaspiro[2.5]octane
SMILESFc1cc(Cl)ccc1N1CCC2(CC1)CO2
InChIInChI=1S/C12H13ClFNO/c13-9-1-2-11(10(14)7-9)15-5-3-12(4-6-15)8-16-12/h1-2,7H,3-6,8H2
InChIKeyGNGGITUAGIGMQF-UHFFFAOYSA-N
XLogP2.85
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.69
LogP ≤ 52.85
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-(4-chloro-2-fluorophenyl)-1-oxa-6-azaspiro[2.5]octane?
The IUPAC name of 6-(4-chloro-2-fluorophenyl)-1-oxa-6-azaspiro[2.5]octane (CID 118904081) is 6-(4-chloro-2-fluorophenyl)-1-oxa-6-azaspiro[2.5]octane.
What is the SMILES notation for 6-(4-chloro-2-fluorophenyl)-1-oxa-6-azaspiro[2.5]octane?
The canonical SMILES for 6-(4-chloro-2-fluorophenyl)-1-oxa-6-azaspiro[2.5]octane is Fc1cc(Cl)ccc1N1CCC2(CC1)CO2.
What is the InChIKey of 6-(4-chloro-2-fluorophenyl)-1-oxa-6-azaspiro[2.5]octane?
The InChIKey is GNGGITUAGIGMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO/c13-9-1-2-11(10(14)7-9)15-5-3-12(4-6-15)8-16-12/h1-2,7H,3-6,8H2.
What are the key properties of 6-(4-chloro-2-fluorophenyl)-1-oxa-6-azaspiro[2.5]octane?
6-(4-chloro-2-fluorophenyl)-1-oxa-6-azaspiro[2.5]octane has a molecular weight of 241.69 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-2-fluorophenyl)-1-oxa-6-azaspiro[2.5]octane is sourced from PubChem (CID 118904081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).