cyclopropyl-[(1S,3S,4S)-3-[(4-fluorophenoxy)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]methanone

C17H20FNO2 — CID 98057482

About cyclopropyl-[(1S,3S,4S)-3-[(4-fluorophenoxy)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]methanone

cyclopropyl-[(1S,3S,4S)-3-[(4-fluorophenoxy)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]methanone (PubChem CID 98057482) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is cyclopropyl-[(1S,3S,4S)-3-[(4-fluorophenoxy)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]methanone.

Molecular Properties

• Compound Name: cyclopropyl-[(1S,3S,4S)-3-[(4-fluorophenoxy)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
• PubChem CID: 98057482
• Molecular Formula: C17H20FNO2
• Molecular Weight: 289.35 g/mol
• Exact Mass: 289.15
• IUPAC Name: cyclopropyl-[(1S,3S,4S)-3-[(4-fluorophenoxy)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
• SMILES: O=C(C1CC1)N1[C@H]2CC[C@@H](C2)[C@H]1COc1ccc(F)cc1
• InChI: InChI=1S/C17H20FNO2/c18-13-4-7-15(8-5-13)21-10-16-12-3-6-14(9-12)19(16)17(20)11-1-2-11/h4-5,7-8,11-12,14,16H,1-3,6,9-10H2/t12-,14-,16+/m0/s1
• InChIKey: YPZLXVJBFWNGPE-DUVNUKRYSA-N
• XLogP: 2.99
• TPSA: 29.54 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	289.35
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(1S,3S,4S)-3-[(4-fluorophenoxy)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?

The IUPAC name of cyclopropyl-[(1S,3S,4S)-3-[(4-fluorophenoxy)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]methanone (CID 98057482) is cyclopropyl-[(1S,3S,4S)-3-[(4-fluorophenoxy)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]methanone.

What is the SMILES notation for cyclopropyl-[(1S,3S,4S)-3-[(4-fluorophenoxy)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?

The canonical SMILES for cyclopropyl-[(1S,3S,4S)-3-[(4-fluorophenoxy)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]methanone is O=C(C1CC1)N1[C@H]2CC[C@@H](C2)[C@H]1COc1ccc(F)cc1.

What is the InChIKey of cyclopropyl-[(1S,3S,4S)-3-[(4-fluorophenoxy)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?

The InChIKey is YPZLXVJBFWNGPE-DUVNUKRYSA-N. The full InChI is InChI=1S/C17H20FNO2/c18-13-4-7-15(8-5-13)21-10-16-12-3-6-14(9-12)19(16)17(20)11-1-2-11/h4-5,7-8,11-12,14,16H,1-3,6,9-10H2/t12-,14-,16+/m0/s1.

What are the key properties of cyclopropyl-[(1S,3S,4S)-3-[(4-fluorophenoxy)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?

cyclopropyl-[(1S,3S,4S)-3-[(4-fluorophenoxy)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]methanone has a molecular weight of 289.35 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropyl-[(1S,3S,4S)-3-[(4-fluorophenoxy)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]methanone is sourced from PubChem (CID 98057482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).