(8S)-2-[(3-fluorophenyl)methyl]-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane

C19H22FN3O2 — CID 124893162

About (8S)-2-[(3-fluorophenyl)methyl]-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane

(8S)-2-[(3-fluorophenyl)methyl]-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 124893162) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is (8S)-2-[(3-fluorophenyl)methyl]-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

• Compound Name: (8S)-2-[(3-fluorophenyl)methyl]-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane
• PubChem CID: 124893162
• Molecular Formula: C19H22FN3O2
• Molecular Weight: 343.40 g/mol
• Exact Mass: 343.17
• IUPAC Name: (8S)-2-[(3-fluorophenyl)methyl]-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane
• SMILES: Cc1ccnc(O[C@H]2CCOC3(C2)CN(Cc2cccc(F)c2)C3)n1
• InChI: InChI=1S/C19H22FN3O2/c1-14-5-7-21-18(22-14)25-17-6-8-24-19(10-17)12-23(13-19)11-15-3-2-4-16(20)9-15/h2-5,7,9,17H,6,8,10-13H2,1H3/t17-/m0/s1
• InChIKey: AEHQCUXICUDBPF-KRWDZBQOSA-N
• XLogP: 2.74
• TPSA: 47.48 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.40
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (8S)-2-[(3-fluorophenyl)methyl]-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane?

The IUPAC name of (8S)-2-[(3-fluorophenyl)methyl]-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane (CID 124893162) is (8S)-2-[(3-fluorophenyl)methyl]-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane.

What is the SMILES notation for (8S)-2-[(3-fluorophenyl)methyl]-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane?

The canonical SMILES for (8S)-2-[(3-fluorophenyl)methyl]-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane is Cc1ccnc(O[C@H]2CCOC3(C2)CN(Cc2cccc(F)c2)C3)n1.

What is the InChIKey of (8S)-2-[(3-fluorophenyl)methyl]-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane?

The InChIKey is AEHQCUXICUDBPF-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-14-5-7-21-18(22-14)25-17-6-8-24-19(10-17)12-23(13-19)11-15-3-2-4-16(20)9-15/h2-5,7,9,17H,6,8,10-13H2,1H3/t17-/m0/s1.

What are the key properties of (8S)-2-[(3-fluorophenyl)methyl]-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane?

(8S)-2-[(3-fluorophenyl)methyl]-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 343.40 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (8S)-2-[(3-fluorophenyl)methyl]-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 124893162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).