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

C19H28FNO2 — CID 97418642

IUPAC(5S)-5-(ethoxymethyl)-9-[(2-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane
SMILESCCOC[C@H]1COCCC12CCN(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/t17-/m0/s1
InChIKeyJNUSNTMFSDEBCM-KRWDZBQOSA-N
MW321.44 g/mol
LogP3.48
Rot. Bonds5

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

(5S)-5-(ethoxymethyl)-9-[(2-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane (PubChem CID 97418642) has the molecular formula C19H28FNO2 and a molecular weight of 321.44 g/mol. Its IUPAC name is (5S)-5-(ethoxymethyl)-9-[(2-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name(5S)-5-(ethoxymethyl)-9-[(2-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane
PubChem CID97418642
Molecular FormulaC19H28FNO2
Molecular Weight321.44 g/mol
Exact Mass321.21
IUPAC Name(5S)-5-(ethoxymethyl)-9-[(2-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane
SMILESCCOC[C@H]1COCCC12CCN(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/t17-/m0/s1
InChIKeyJNUSNTMFSDEBCM-KRWDZBQOSA-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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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(ethoxymethyl)-9-[(2-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of (5S)-5-(ethoxymethyl)-9-[(2-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane (CID 97418642) is (5S)-5-(ethoxymethyl)-9-[(2-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for (5S)-5-(ethoxymethyl)-9-[(2-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for (5S)-5-(ethoxymethyl)-9-[(2-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane is CCOC[C@H]1COCCC12CCN(Cc1ccccc1F)CC2.
What is the InChIKey of (5S)-5-(ethoxymethyl)-9-[(2-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane?
The InChIKey is JNUSNTMFSDEBCM-KRWDZBQOSA-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/t17-/m0/s1.
What are the key properties of (5S)-5-(ethoxymethyl)-9-[(2-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane?
(5S)-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 (5S)-5-(ethoxymethyl)-9-[(2-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 97418642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).