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

C18H26FNO2 — CID 97418539

IUPAC(5R)-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-/m1/s1
InChIKeyQWQSPCGYEGBALI-MRXNPFEDSA-N
MW307.41 g/mol
LogP3.09
Rot. Bonds4

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

(5R)-9-[(2-fluorophenyl)methyl]-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane (PubChem CID 97418539) has the molecular formula C18H26FNO2 and a molecular weight of 307.41 g/mol. Its IUPAC name is (5R)-9-[(2-fluorophenyl)methyl]-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name(5R)-9-[(2-fluorophenyl)methyl]-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane
PubChem CID97418539
Molecular FormulaC18H26FNO2
Molecular Weight307.41 g/mol
Exact Mass307.19
IUPAC Name(5R)-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-/m1/s1
InChIKeyQWQSPCGYEGBALI-MRXNPFEDSA-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

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Frequently Asked Questions

What is the IUPAC name of (5R)-9-[(2-fluorophenyl)methyl]-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of (5R)-9-[(2-fluorophenyl)methyl]-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane (CID 97418539) is (5R)-9-[(2-fluorophenyl)methyl]-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for (5R)-9-[(2-fluorophenyl)methyl]-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for (5R)-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 (5R)-9-[(2-fluorophenyl)methyl]-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane?
The InChIKey is QWQSPCGYEGBALI-MRXNPFEDSA-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-/m1/s1.
What are the key properties of (5R)-9-[(2-fluorophenyl)methyl]-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane?
(5R)-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 (5R)-9-[(2-fluorophenyl)methyl]-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 97418539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).