(3,4-difluorophenyl)-[(3S)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone

C18H24F2N2O2 — CID 97482492

About (3,4-difluorophenyl)-[(3S)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone

(3,4-difluorophenyl)-[(3S)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone (PubChem CID 97482492) has the molecular formula C18H24F2N2O2 and a molecular weight of 338.40 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[(3S)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

• Compound Name: (3,4-difluorophenyl)-[(3S)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
• PubChem CID: 97482492
• Molecular Formula: C18H24F2N2O2
• Molecular Weight: 338.40 g/mol
• Exact Mass: 338.18
• IUPAC Name: (3,4-difluorophenyl)-[(3S)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
• SMILES: COC[C@@H]1CC2(CCN(C(=O)c3ccc(F)c(F)c3)CC2)CN1C
• InChI: InChI=1S/C18H24F2N2O2/c1-21-12-18(10-14(21)11-24-2)5-7-22(8-6-18)17(23)13-3-4-15(19)16(20)9-13/h3-4,9,14H,5-8,10-12H2,1-2H3/t14-/m0/s1
• InChIKey: KYFPWPZQYMDSRQ-AWEZNQCLSA-N
• XLogP: 2.54
• TPSA: 32.78 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.40
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[(3S)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone?

The IUPAC name of (3,4-difluorophenyl)-[(3S)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone (CID 97482492) is (3,4-difluorophenyl)-[(3S)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone.

What is the SMILES notation for (3,4-difluorophenyl)-[(3S)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone?

The canonical SMILES for (3,4-difluorophenyl)-[(3S)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone is COC[C@@H]1CC2(CCN(C(=O)c3ccc(F)c(F)c3)CC2)CN1C.

What is the InChIKey of (3,4-difluorophenyl)-[(3S)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone?

The InChIKey is KYFPWPZQYMDSRQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24F2N2O2/c1-21-12-18(10-14(21)11-24-2)5-7-22(8-6-18)17(23)13-3-4-15(19)16(20)9-13/h3-4,9,14H,5-8,10-12H2,1-2H3/t14-/m0/s1.

What are the key properties of (3,4-difluorophenyl)-[(3S)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone?

(3,4-difluorophenyl)-[(3S)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone has a molecular weight of 338.40 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3,4-difluorophenyl)-[(3S)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 97482492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).