(2,5-difluorophenyl)-[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone

C19H25F2NO4 — CID 91918139

IUPAC(2,5-difluorophenyl)-[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
SMILESCOCCOC1CCOC2(CCN(C(=O)c3cc(F)ccc3F)CC2)C1
InChIInChI=1S/C19H25F2NO4/c1-24-10-11-25-15-4-9-26-19(13-15)5-7-22(8-6-19)18(23)16-12-14(20)2-3-17(16)21/h2-3,12,15H,4-11,13H2,1H3
InChIKeyGSFKDGCEMIEQQV-UHFFFAOYSA-N
MW369.41 g/mol
LogP2.78
Rot. Bonds5

About (2,5-difluorophenyl)-[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone

(2,5-difluorophenyl)-[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone (PubChem CID 91918139) has the molecular formula C19H25F2NO4 and a molecular weight of 369.41 g/mol. Its IUPAC name is (2,5-difluorophenyl)-[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone.

Molecular Properties

Compound Name(2,5-difluorophenyl)-[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
PubChem CID91918139
Molecular FormulaC19H25F2NO4
Molecular Weight369.41 g/mol
Exact Mass369.18
IUPAC Name(2,5-difluorophenyl)-[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
SMILESCOCCOC1CCOC2(CCN(C(=O)c3cc(F)ccc3F)CC2)C1
InChIInChI=1S/C19H25F2NO4/c1-24-10-11-25-15-4-9-26-19(13-15)5-7-22(8-6-19)18(23)16-12-14(20)2-3-17(16)21/h2-3,12,15H,4-11,13H2,1H3
InChIKeyGSFKDGCEMIEQQV-UHFFFAOYSA-N
XLogP2.78
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-allyl-6-(1-(4-fluorobenzoyl)piperidin-4-yloxy)-N-methylhexan-1-aminium
CID 44306062
N-(6-(1-(4-fluorobenzoyl)piperidin-4-yloxy)hexyl)-N-methylcyclopropanaminium
CID 44306371
1-(3-Fluorobenzoyl)-4-[(1-methylpiperidin-4-YL)oxy]piperidine
CID 91916428
9-(2,5-Difluorobenzoyl)-4-methoxy-1-oxa-9-azaspiro[5.5]undecane
CID 91917965
N-Benzyl-N-cyclopropyl-9-(3-fluoro-4-methylbenzoyl)-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 91908294
9-Benzoyl-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 91919146
4-[(4-Fluorophenyl)methyl]-9-(3-methylbenzoyl)-1-oxa-9-azaspiro[5.5]undecane
CID 124053246
N-(2,2-Dimethyl-tetrahydro-pyran-4-yl)-4-fluoro-N-(4-fluoro-benzyl)-benzamide
CID 3833011
1-(4-Fluorobenzoyl)-4-methoxypiperidine
CID 49720256
(3,4-Difluorophenyl)[4-(2-methoxyethyl)piperidino]methanone
CID 53150846
1-(2-Fluorobenzoyl)-4-(2-methoxyethyl)piperidine
CID 53150848
1-(4-Fluorobenzoyl)-4-(2-methoxyethyl)piperidine
CID 53150849

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The IUPAC name of (2,5-difluorophenyl)-[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone (CID 91918139) is (2,5-difluorophenyl)-[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone.
What is the SMILES notation for (2,5-difluorophenyl)-[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The canonical SMILES for (2,5-difluorophenyl)-[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone is COCCOC1CCOC2(CCN(C(=O)c3cc(F)ccc3F)CC2)C1.
What is the InChIKey of (2,5-difluorophenyl)-[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The InChIKey is GSFKDGCEMIEQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2NO4/c1-24-10-11-25-15-4-9-26-19(13-15)5-7-22(8-6-19)18(23)16-12-14(20)2-3-17(16)21/h2-3,12,15H,4-11,13H2,1H3.
What are the key properties of (2,5-difluorophenyl)-[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
(2,5-difluorophenyl)-[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone has a molecular weight of 369.41 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone is sourced from PubChem (CID 91918139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).