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

C17H21F2NO3 — CID 91917965

IUPAC(2,5-difluorophenyl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
SMILESCOC1CCOC2(CCN(C(=O)c3cc(F)ccc3F)CC2)C1
InChIInChI=1S/C17H21F2NO3/c1-22-13-4-9-23-17(11-13)5-7-20(8-6-17)16(21)14-10-12(18)2-3-15(14)19/h2-3,10,13H,4-9,11H2,1H3
InChIKeyBATHWAOGAZYTPI-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.77
Rot. Bonds2

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

(2,5-difluorophenyl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone (PubChem CID 91917965) has the molecular formula C17H21F2NO3 and a molecular weight of 325.36 g/mol. Its IUPAC name is (2,5-difluorophenyl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone.

Molecular Properties

Compound Name(2,5-difluorophenyl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
PubChem CID91917965
Molecular FormulaC17H21F2NO3
Molecular Weight325.36 g/mol
Exact Mass325.15
IUPAC Name(2,5-difluorophenyl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
SMILESCOC1CCOC2(CCN(C(=O)c3cc(F)ccc3F)CC2)C1
InChIInChI=1S/C17H21F2NO3/c1-22-13-4-9-23-17(11-13)5-7-20(8-6-17)16(21)14-10-12(18)2-3-15(14)19/h2-3,10,13H,4-9,11H2,1H3
InChIKeyBATHWAOGAZYTPI-UHFFFAOYSA-N
XLogP2.77
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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
Ethyl 1-(2,6-difluorobenzoyl)-3-methylpiperidine-3-carboxylate
CID 46943904
1-(3-Fluorobenzoyl)-4-[(1-methylpiperidin-4-YL)oxy]piperidine
CID 91916428
2-(3-Fluorophenyl)-1-{1-oxa-9-azaspiro[5.5]undecan-9-YL}ethan-1-one
CID 110203850
N-Benzyl-N-cyclopropyl-9-(3-fluoro-4-methylbenzoyl)-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 91908294
{4-[(1-Benzyl-4-piperidyl)oxy]piperidino}(2,6-difluorophenyl)methanone
CID 91916473
4-[(1-Benzylpiperidin-4-YL)oxy]-1-(4-fluorobenzoyl)piperidine
CID 91916474
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
(2-Methoxypiperidin-1-yl)-phenylmethanone
CID 359208
Ethyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate
CID 2905457

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The IUPAC name of (2,5-difluorophenyl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone (CID 91917965) is (2,5-difluorophenyl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone.
What is the SMILES notation for (2,5-difluorophenyl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The canonical SMILES for (2,5-difluorophenyl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone is COC1CCOC2(CCN(C(=O)c3cc(F)ccc3F)CC2)C1.
What is the InChIKey of (2,5-difluorophenyl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The InChIKey is BATHWAOGAZYTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2NO3/c1-22-13-4-9-23-17(11-13)5-7-20(8-6-17)16(21)14-10-12(18)2-3-15(14)19/h2-3,10,13H,4-9,11H2,1H3.
What are the key properties of (2,5-difluorophenyl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
(2,5-difluorophenyl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone has a molecular weight of 325.36 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone is sourced from PubChem (CID 91917965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).