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

C20H22F2N2O2 — CID 118960372

IUPAC9-[2-fluoro-3-(3-fluorophenoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESFc1cccc(Oc2cccc(N3CCC4(CC3)CNCCO4)c2F)c1
InChIInChI=1S/C20H22F2N2O2/c21-15-3-1-4-16(13-15)26-18-6-2-5-17(19(18)22)24-10-7-20(8-11-24)14-23-9-12-25-20/h1-6,13,23H,7-12,14H2
InChIKeyIFKASTTVCISIPF-UHFFFAOYSA-N
MW360.40 g/mol
LogP3.72
Rot. Bonds3

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

9-[2-fluoro-3-(3-fluorophenoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 118960372) has the molecular formula C20H22F2N2O2 and a molecular weight of 360.40 g/mol. Its IUPAC name is 9-[2-fluoro-3-(3-fluorophenoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-[2-fluoro-3-(3-fluorophenoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID118960372
Molecular FormulaC20H22F2N2O2
Molecular Weight360.40 g/mol
Exact Mass360.16
IUPAC Name9-[2-fluoro-3-(3-fluorophenoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESFc1cccc(Oc2cccc(N3CCC4(CC3)CNCCO4)c2F)c1
InChIInChI=1S/C20H22F2N2O2/c21-15-3-1-4-16(13-15)26-18-6-2-5-17(19(18)22)24-10-7-20(8-11-24)14-23-9-12-25-20/h1-6,13,23H,7-12,14H2
InChIKeyIFKASTTVCISIPF-UHFFFAOYSA-N
XLogP3.72
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 25015710
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1-(4-Fluoro-3-(3-morpholinopropoxy)phenyl)-3-(4-(trifluoromethoxy)phenyl)urea
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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-fluoro-3-(3-fluorophenoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-[2-fluoro-3-(3-fluorophenoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane (CID 118960372) is 9-[2-fluoro-3-(3-fluorophenoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-[2-fluoro-3-(3-fluorophenoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-[2-fluoro-3-(3-fluorophenoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane is Fc1cccc(Oc2cccc(N3CCC4(CC3)CNCCO4)c2F)c1.
What is the InChIKey of 9-[2-fluoro-3-(3-fluorophenoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is IFKASTTVCISIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O2/c21-15-3-1-4-16(13-15)26-18-6-2-5-17(19(18)22)24-10-7-20(8-11-24)14-23-9-12-25-20/h1-6,13,23H,7-12,14H2.
What are the key properties of 9-[2-fluoro-3-(3-fluorophenoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane?
9-[2-fluoro-3-(3-fluorophenoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 360.40 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-fluoro-3-(3-fluorophenoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 118960372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).