5-(ethoxymethyl)-9-[(2-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane

C19H28FNO2 — CID 131654924

IUPAC5-(ethoxymethyl)-9-[(2-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane
SMILESCCOCC1COCCC12CCN(Cc1ccccc1F)CC2
InChIInChI=1S/C19H28FNO2/c1-2-22-14-17-15-23-12-9-19(17)7-10-21(11-8-19)13-16-5-3-4-6-18(16)20/h3-6,17H,2,7-15H2,1H3
InChIKeyJNUSNTMFSDEBCM-UHFFFAOYSA-N
MW321.44 g/mol
LogP3.48
Rot. Bonds5

About 5-(ethoxymethyl)-9-[(2-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane

5-(ethoxymethyl)-9-[(2-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane (PubChem CID 131654924) has the molecular formula C19H28FNO2 and a molecular weight of 321.44 g/mol. Its IUPAC name is 5-(ethoxymethyl)-9-[(2-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name5-(ethoxymethyl)-9-[(2-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane
PubChem CID131654924
Molecular FormulaC19H28FNO2
Molecular Weight321.44 g/mol
Exact Mass321.21
IUPAC Name5-(ethoxymethyl)-9-[(2-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane
SMILESCCOCC1COCCC12CCN(Cc1ccccc1F)CC2
InChIInChI=1S/C19H28FNO2/c1-2-22-14-17-15-23-12-9-19(17)7-10-21(11-8-19)13-16-5-3-4-6-18(16)20/h3-6,17H,2,7-15H2,1H3
InChIKeyJNUSNTMFSDEBCM-UHFFFAOYSA-N
XLogP3.48
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

US11214540, Example 36
CID 142475381
3-[(4-Tert-butylphenyl)methyl]-9-oxa-3-azaspiro[5.5]undecane
CID 145989321
[8-(2,4-Difluorobenzyl)-2-methyl-2,8-diazaspiro[4.5]dec-4-yl]methyl methyl ether
CID 91922080
5-(Methoxymethyl)-9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecane
CID 118744255
2-[(3-Fluorophenyl)methyl]-11-(2-methoxyethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 118745930
5-(Methoxymethyl)-9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
CID 118744254
4-[5-(5,5-Dimethyl[1,3,2]dioxaborinan-2-yl)-2-fluorobenzyl]morpholine
CID 22285313
(3S,4R)-4-(1-fluorohexa-1,2,3,4,5-pentaenyl)-3-(methoxymethyl)-1-[(1S)-1-phenylethyl]piperidine
CID 59922150
1-[(4-Fluorophenyl)methyl]-4-(4-methyloxan-4-yl)piperidine
CID 132158138
4-(4-Ethyloxan-4-yl)-1-[(4-fluorophenyl)methyl]piperidine
CID 132158262
1-[2-(2,3-Difluorophenyl)ethyl]-4-(4-methyloxan-4-yl)piperidine
CID 139379133
1-[2-(2,5-Difluorophenyl)ethyl]-4-(4-methyloxan-4-yl)piperidine
CID 139379161

Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethyl)-9-[(2-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 5-(ethoxymethyl)-9-[(2-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane (CID 131654924) is 5-(ethoxymethyl)-9-[(2-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 5-(ethoxymethyl)-9-[(2-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 5-(ethoxymethyl)-9-[(2-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane is CCOCC1COCCC12CCN(Cc1ccccc1F)CC2.
What is the InChIKey of 5-(ethoxymethyl)-9-[(2-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane?
The InChIKey is JNUSNTMFSDEBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FNO2/c1-2-22-14-17-15-23-12-9-19(17)7-10-21(11-8-19)13-16-5-3-4-6-18(16)20/h3-6,17H,2,7-15H2,1H3.
What are the key properties of 5-(ethoxymethyl)-9-[(2-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane?
5-(ethoxymethyl)-9-[(2-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane has a molecular weight of 321.44 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethyl)-9-[(2-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 131654924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).