[1-(4-fluorophenyl)cyclopropyl]-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone

C15H16FNO2 — CID 126855275

IUPAC[1-(4-fluorophenyl)cyclopropyl]-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone
SMILESO=C(N1CC2CC1CO2)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H16FNO2/c16-11-3-1-10(2-4-11)15(5-6-15)14(18)17-8-13-7-12(17)9-19-13/h1-4,12-13H,5-9H2
InChIKeyXRMYQZCBUXYNLS-UHFFFAOYSA-N
MW261.30 g/mol
LogP1.86
Rot. Bonds2

About [1-(4-fluorophenyl)cyclopropyl]-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone

[1-(4-fluorophenyl)cyclopropyl]-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone (PubChem CID 126855275) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is [1-(4-fluorophenyl)cyclopropyl]-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)cyclopropyl]-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone
PubChem CID126855275
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name[1-(4-fluorophenyl)cyclopropyl]-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone
SMILESO=C(N1CC2CC1CO2)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H16FNO2/c16-11-3-1-10(2-4-11)15(5-6-15)14(18)17-8-13-7-12(17)9-19-13/h1-4,12-13H,5-9H2
InChIKeyXRMYQZCBUXYNLS-UHFFFAOYSA-N
XLogP1.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)cyclopropyl]-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone?
The IUPAC name of [1-(4-fluorophenyl)cyclopropyl]-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone (CID 126855275) is [1-(4-fluorophenyl)cyclopropyl]-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone.
What is the SMILES notation for [1-(4-fluorophenyl)cyclopropyl]-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone?
The canonical SMILES for [1-(4-fluorophenyl)cyclopropyl]-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone is O=C(N1CC2CC1CO2)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of [1-(4-fluorophenyl)cyclopropyl]-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone?
The InChIKey is XRMYQZCBUXYNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c16-11-3-1-10(2-4-11)15(5-6-15)14(18)17-8-13-7-12(17)9-19-13/h1-4,12-13H,5-9H2.
What are the key properties of [1-(4-fluorophenyl)cyclopropyl]-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone?
[1-(4-fluorophenyl)cyclopropyl]-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone has a molecular weight of 261.30 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)cyclopropyl]-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone is sourced from PubChem (CID 126855275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).