8-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]-1,4-dioxa-8-azaspiro[4.5]decane

C18H26FNO5 — CID 118904933

IUPAC8-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCOCCOCCOc1ccc(N2CCC3(CC2)OCCO3)c(F)c1
InChIInChI=1S/C18H26FNO5/c1-21-8-9-22-10-11-23-15-2-3-17(16(19)14-15)20-6-4-18(5-7-20)24-12-13-25-18/h2-3,14H,4-13H2,1H3
InChIKeyMRTLWPSLNZVOJO-UHFFFAOYSA-N
MW355.41 g/mol
LogP2.21
Rot. Bonds8

About 8-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 118904933) has the molecular formula C18H26FNO5 and a molecular weight of 355.41 g/mol. Its IUPAC name is 8-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID118904933
Molecular FormulaC18H26FNO5
Molecular Weight355.41 g/mol
Exact Mass355.18
IUPAC Name8-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCOCCOCCOc1ccc(N2CCC3(CC2)OCCO3)c(F)c1
InChIInChI=1S/C18H26FNO5/c1-21-8-9-22-10-11-23-15-2-3-17(16(19)14-15)20-6-4-18(5-7-20)24-12-13-25-18/h2-3,14H,4-13H2,1H3
InChIKeyMRTLWPSLNZVOJO-UHFFFAOYSA-N
XLogP2.21
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 118904933) is 8-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]-1,4-dioxa-8-azaspiro[4.5]decane is COCCOCCOc1ccc(N2CCC3(CC2)OCCO3)c(F)c1.
What is the InChIKey of 8-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is MRTLWPSLNZVOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO5/c1-21-8-9-22-10-11-23-15-2-3-17(16(19)14-15)20-6-4-18(5-7-20)24-12-13-25-18/h2-3,14H,4-13H2,1H3.
What are the key properties of 8-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 355.41 g/mol, XLogP of 2.21, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 118904933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).