8-azabicyclo[3.2.1]oct-2-en-8-yl-(2-chloro-4-fluorophenyl)methanone

C14H13ClFNO — CID 73168740

IUPAC8-azabicyclo[3.2.1]oct-2-en-8-yl-(2-chloro-4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1Cl)N1C2C=CCC1CC2
InChIInChI=1S/C14H13ClFNO/c15-13-8-9(16)4-7-12(13)14(18)17-10-2-1-3-11(17)6-5-10/h1-2,4,7-8,10-11H,3,5-6H2
InChIKeyLDRQZFRUFYVRFE-UHFFFAOYSA-N
MW265.71 g/mol
LogP3.41
Rot. Bonds1

About 8-azabicyclo[3.2.1]oct-2-en-8-yl-(2-chloro-4-fluorophenyl)methanone

8-azabicyclo[3.2.1]oct-2-en-8-yl-(2-chloro-4-fluorophenyl)methanone (PubChem CID 73168740) has the molecular formula C14H13ClFNO and a molecular weight of 265.71 g/mol. Its IUPAC name is 8-azabicyclo[3.2.1]oct-2-en-8-yl-(2-chloro-4-fluorophenyl)methanone.

Molecular Properties

Compound Name8-azabicyclo[3.2.1]oct-2-en-8-yl-(2-chloro-4-fluorophenyl)methanone
PubChem CID73168740
Molecular FormulaC14H13ClFNO
Molecular Weight265.71 g/mol
Exact Mass265.07
IUPAC Name8-azabicyclo[3.2.1]oct-2-en-8-yl-(2-chloro-4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1Cl)N1C2C=CCC1CC2
InChIInChI=1S/C14H13ClFNO/c15-13-8-9(16)4-7-12(13)14(18)17-10-2-1-3-11(17)6-5-10/h1-2,4,7-8,10-11H,3,5-6H2
InChIKeyLDRQZFRUFYVRFE-UHFFFAOYSA-N
XLogP3.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.71
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 8-azabicyclo[3.2.1]oct-2-en-8-yl-(2-chloro-4-fluorophenyl)methanone?
The IUPAC name of 8-azabicyclo[3.2.1]oct-2-en-8-yl-(2-chloro-4-fluorophenyl)methanone (CID 73168740) is 8-azabicyclo[3.2.1]oct-2-en-8-yl-(2-chloro-4-fluorophenyl)methanone.
What is the SMILES notation for 8-azabicyclo[3.2.1]oct-2-en-8-yl-(2-chloro-4-fluorophenyl)methanone?
The canonical SMILES for 8-azabicyclo[3.2.1]oct-2-en-8-yl-(2-chloro-4-fluorophenyl)methanone is O=C(c1ccc(F)cc1Cl)N1C2C=CCC1CC2.
What is the InChIKey of 8-azabicyclo[3.2.1]oct-2-en-8-yl-(2-chloro-4-fluorophenyl)methanone?
The InChIKey is LDRQZFRUFYVRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c15-13-8-9(16)4-7-12(13)14(18)17-10-2-1-3-11(17)6-5-10/h1-2,4,7-8,10-11H,3,5-6H2.
What are the key properties of 8-azabicyclo[3.2.1]oct-2-en-8-yl-(2-chloro-4-fluorophenyl)methanone?
8-azabicyclo[3.2.1]oct-2-en-8-yl-(2-chloro-4-fluorophenyl)methanone has a molecular weight of 265.71 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azabicyclo[3.2.1]oct-2-en-8-yl-(2-chloro-4-fluorophenyl)methanone is sourced from PubChem (CID 73168740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).