9-[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]-5-azaspiro[3.5]nonan-6-one

C16H19F3N2O2 — CID 126812495

IUPAC9-[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]-5-azaspiro[3.5]nonan-6-one
SMILESO=C1CCC(NCc2ccc(OC(F)F)c(F)c2)C2(CCC2)N1
InChIInChI=1S/C16H19F3N2O2/c17-11-8-10(2-3-12(11)23-15(18)19)9-20-13-4-5-14(22)21-16(13)6-1-7-16/h2-3,8,13,15,20H,1,4-7,9H2,(H,21,22)
InChIKeyFEAVQNXGJYHZPS-UHFFFAOYSA-N
MW328.33 g/mol
LogP2.72
Rot. Bonds5

About 9-[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]-5-azaspiro[3.5]nonan-6-one

9-[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]-5-azaspiro[3.5]nonan-6-one (PubChem CID 126812495) has the molecular formula C16H19F3N2O2 and a molecular weight of 328.33 g/mol. Its IUPAC name is 9-[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]-5-azaspiro[3.5]nonan-6-one.

Molecular Properties

Compound Name9-[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]-5-azaspiro[3.5]nonan-6-one
PubChem CID126812495
Molecular FormulaC16H19F3N2O2
Molecular Weight328.33 g/mol
Exact Mass328.14
IUPAC Name9-[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]-5-azaspiro[3.5]nonan-6-one
SMILESO=C1CCC(NCc2ccc(OC(F)F)c(F)c2)C2(CCC2)N1
InChIInChI=1S/C16H19F3N2O2/c17-11-8-10(2-3-12(11)23-15(18)19)9-20-13-4-5-14(22)21-16(13)6-1-7-16/h2-3,8,13,15,20H,1,4-7,9H2,(H,21,22)
InChIKeyFEAVQNXGJYHZPS-UHFFFAOYSA-N
XLogP2.72
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 9-[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]-5-azaspiro[3.5]nonan-6-one with MolForge

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Related Compounds

2-[2-(difluoromethoxy)phenyl]-N-(6-oxo-5-azaspiro[3.5]nonan-9-yl)acetamide
CID 126799465
3-fluoro-4-methoxy-N-[(9S)-6-oxo-5-azaspiro[3.5]nonan-9-yl]benzenesulfonamide
CID 129353410
[4-[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]cyclohexyl]methanol
CID 109396354
5-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]piperidin-2-one
CID 63378779
1-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-3-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]urea
CID 138010386
(2S)-N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 95612225
N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 56781412
N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 103848215
9-[[3-(3,5-difluorophenyl)cyclobutyl]amino]-5-azaspiro[3.5]nonan-6-one
CID 126808434
[3-[[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]methyl]oxetan-3-yl]methanol
CID 109396406
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,3-dimethylcyclopentan-1-amine
CID 115881518
9-[2-(oxan-4-yl)ethylamino]-5-azaspiro[3.5]nonan-6-one
CID 128507743

Frequently Asked Questions

What is the IUPAC name of 9-[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]-5-azaspiro[3.5]nonan-6-one?
The IUPAC name of 9-[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]-5-azaspiro[3.5]nonan-6-one (CID 126812495) is 9-[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]-5-azaspiro[3.5]nonan-6-one.
What is the SMILES notation for 9-[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]-5-azaspiro[3.5]nonan-6-one?
The canonical SMILES for 9-[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]-5-azaspiro[3.5]nonan-6-one is O=C1CCC(NCc2ccc(OC(F)F)c(F)c2)C2(CCC2)N1.
What is the InChIKey of 9-[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]-5-azaspiro[3.5]nonan-6-one?
The InChIKey is FEAVQNXGJYHZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O2/c17-11-8-10(2-3-12(11)23-15(18)19)9-20-13-4-5-14(22)21-16(13)6-1-7-16/h2-3,8,13,15,20H,1,4-7,9H2,(H,21,22).
What are the key properties of 9-[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]-5-azaspiro[3.5]nonan-6-one?
9-[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]-5-azaspiro[3.5]nonan-6-one has a molecular weight of 328.33 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]-5-azaspiro[3.5]nonan-6-one is sourced from PubChem (CID 126812495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).