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

C18H26FNO2 — CID 97418540

IUPAC(5S)-9-[(2-fluorophenyl)methyl]-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane
SMILESCOC[C@H]1COCCC12CCN(Cc1ccccc1F)CC2
InChIInChI=1S/C18H26FNO2/c1-21-13-16-14-22-11-8-18(16)6-9-20(10-7-18)12-15-4-2-3-5-17(15)19/h2-5,16H,6-14H2,1H3/t16-/m0/s1
InChIKeyQWQSPCGYEGBALI-INIZCTEOSA-N
MW307.41 g/mol
LogP3.09
Rot. Bonds4

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

(5S)-9-[(2-fluorophenyl)methyl]-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane (PubChem CID 97418540) has the molecular formula C18H26FNO2 and a molecular weight of 307.41 g/mol. Its IUPAC name is (5S)-9-[(2-fluorophenyl)methyl]-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name(5S)-9-[(2-fluorophenyl)methyl]-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane
PubChem CID97418540
Molecular FormulaC18H26FNO2
Molecular Weight307.41 g/mol
Exact Mass307.19
IUPAC Name(5S)-9-[(2-fluorophenyl)methyl]-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane
SMILESCOC[C@H]1COCCC12CCN(Cc1ccccc1F)CC2
InChIInChI=1S/C18H26FNO2/c1-21-13-16-14-22-11-8-18(16)6-9-20(10-7-18)12-15-4-2-3-5-17(15)19/h2-5,16H,6-14H2,1H3/t16-/m0/s1
InChIKeyQWQSPCGYEGBALI-INIZCTEOSA-N
XLogP3.09
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5S)-9-[(2-fluorophenyl)methyl]-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane with MolForge

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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 (5S)-9-[(2-fluorophenyl)methyl]-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of (5S)-9-[(2-fluorophenyl)methyl]-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane (CID 97418540) is (5S)-9-[(2-fluorophenyl)methyl]-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for (5S)-9-[(2-fluorophenyl)methyl]-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for (5S)-9-[(2-fluorophenyl)methyl]-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane is COC[C@H]1COCCC12CCN(Cc1ccccc1F)CC2.
What is the InChIKey of (5S)-9-[(2-fluorophenyl)methyl]-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane?
The InChIKey is QWQSPCGYEGBALI-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26FNO2/c1-21-13-16-14-22-11-8-18(16)6-9-20(10-7-18)12-15-4-2-3-5-17(15)19/h2-5,16H,6-14H2,1H3/t16-/m0/s1.
What are the key properties of (5S)-9-[(2-fluorophenyl)methyl]-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane?
(5S)-9-[(2-fluorophenyl)methyl]-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane has a molecular weight of 307.41 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-[(2-fluorophenyl)methyl]-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 97418540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).