9-[2,5-difluoro-3-(3-fluorophenoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane

C20H21F3N2O2 — CID 118960480

IUPAC9-[2,5-difluoro-3-(3-fluorophenoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESFc1cccc(Oc2cc(F)cc(N3CCC4(CC3)CNCCO4)c2F)c1
InChIInChI=1S/C20H21F3N2O2/c21-14-2-1-3-16(10-14)27-18-12-15(22)11-17(19(18)23)25-7-4-20(5-8-25)13-24-6-9-26-20/h1-3,10-12,24H,4-9,13H2
InChIKeyUPTRBXKTOJZNAB-UHFFFAOYSA-N
MW378.39 g/mol
LogP3.86
Rot. Bonds3

About 9-[2,5-difluoro-3-(3-fluorophenoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane

9-[2,5-difluoro-3-(3-fluorophenoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 118960480) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is 9-[2,5-difluoro-3-(3-fluorophenoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-[2,5-difluoro-3-(3-fluorophenoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID118960480
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC Name9-[2,5-difluoro-3-(3-fluorophenoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESFc1cccc(Oc2cc(F)cc(N3CCC4(CC3)CNCCO4)c2F)c1
InChIInChI=1S/C20H21F3N2O2/c21-14-2-1-3-16(10-14)27-18-12-15(22)11-17(19(18)23)25-7-4-20(5-8-25)13-24-6-9-26-20/h1-3,10-12,24H,4-9,13H2
InChIKeyUPTRBXKTOJZNAB-UHFFFAOYSA-N
XLogP3.86
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-[2,5-difluoro-3-(3-fluorophenoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane with MolForge

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Related Compounds

1-(3-(3-Morpholinopropoxy)phenyl)-3-phenylurea
CID 25015710
1-(3-(3-Morpholinopropoxy)phenyl)-3-(4-(trifluoromethyl)phenyl)urea
CID 25014530
1-(4-Fluoro-3-(3-morpholinopropoxy)phenyl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 25015206
Benzenamine, 3-(3-(4-phenyl-1-piperazinyl)propoxy)-
CID 55413
1-{3-[(3-Fluorophenyl)methoxy]-2-methylphenyl}piperazine
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1-{3-[(2-Fluorophenyl)methoxy]-2-methylphenyl}piperazine
CID 25263307
1-{3-[(3,4-Difluorophenyl)methoxy]-2-methylphenyl}piperazine
CID 25263308
1-(2-(2-Fluorobenzyloxy)phenyl)piperazine
CID 45483446
Phenyl-[4-(3-piperidin-1-yl-propoxy)-benzyl]-amine
CID 9945134
(7R,9aS)-7-(4-Fluoro-phenoxymethyl)-2-(4-fluoro-phenyl)-octahydro-pyrido[1,2-a]pyrazine
CID 10133031
(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-[1-(2,3-dihydro-benzo[1,4]dioxin-5-yl)-piperidin-4-ylmethyl]-amine
CID 10548781
(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-(1-phenyl-piperidin-4-ylmethyl)-amine
CID 10664759

Frequently Asked Questions

What is the IUPAC name of 9-[2,5-difluoro-3-(3-fluorophenoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-[2,5-difluoro-3-(3-fluorophenoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane (CID 118960480) is 9-[2,5-difluoro-3-(3-fluorophenoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-[2,5-difluoro-3-(3-fluorophenoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-[2,5-difluoro-3-(3-fluorophenoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane is Fc1cccc(Oc2cc(F)cc(N3CCC4(CC3)CNCCO4)c2F)c1.
What is the InChIKey of 9-[2,5-difluoro-3-(3-fluorophenoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is UPTRBXKTOJZNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c21-14-2-1-3-16(10-14)27-18-12-15(22)11-17(19(18)23)25-7-4-20(5-8-25)13-24-6-9-26-20/h1-3,10-12,24H,4-9,13H2.
What are the key properties of 9-[2,5-difluoro-3-(3-fluorophenoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane?
9-[2,5-difluoro-3-(3-fluorophenoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 378.39 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,5-difluoro-3-(3-fluorophenoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 118960480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).