7-[1-(2,6-difluorophenyl)ethyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol

C18H25F2NO2 — CID 111457117

IUPAC7-[1-(2,6-difluorophenyl)ethyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
SMILESCCOC1CC(O)C12CCN(C(C)c1c(F)cccc1F)CC2
InChIInChI=1S/C18H25F2NO2/c1-3-23-16-11-15(22)18(16)7-9-21(10-8-18)12(2)17-13(19)5-4-6-14(17)20/h4-6,12,15-16,22H,3,7-11H2,1-2H3
InChIKeyMMOHQSDBPZWIKJ-UHFFFAOYSA-N
MW325.40 g/mol
LogP3.28
Rot. Bonds4

About 7-[1-(2,6-difluorophenyl)ethyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol

7-[1-(2,6-difluorophenyl)ethyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol (PubChem CID 111457117) has the molecular formula C18H25F2NO2 and a molecular weight of 325.40 g/mol. Its IUPAC name is 7-[1-(2,6-difluorophenyl)ethyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol.

Molecular Properties

Compound Name7-[1-(2,6-difluorophenyl)ethyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
PubChem CID111457117
Molecular FormulaC18H25F2NO2
Molecular Weight325.40 g/mol
Exact Mass325.19
IUPAC Name7-[1-(2,6-difluorophenyl)ethyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
SMILESCCOC1CC(O)C12CCN(C(C)c1c(F)cccc1F)CC2
InChIInChI=1S/C18H25F2NO2/c1-3-23-16-11-15(22)18(16)7-9-21(10-8-18)12(2)17-13(19)5-4-6-14(17)20/h4-6,12,15-16,22H,3,7-11H2,1-2H3
InChIKeyMMOHQSDBPZWIKJ-UHFFFAOYSA-N
XLogP3.28
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(2,6-difluorophenyl)ethyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol?
The IUPAC name of 7-[1-(2,6-difluorophenyl)ethyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol (CID 111457117) is 7-[1-(2,6-difluorophenyl)ethyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol.
What is the SMILES notation for 7-[1-(2,6-difluorophenyl)ethyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol?
The canonical SMILES for 7-[1-(2,6-difluorophenyl)ethyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol is CCOC1CC(O)C12CCN(C(C)c1c(F)cccc1F)CC2.
What is the InChIKey of 7-[1-(2,6-difluorophenyl)ethyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol?
The InChIKey is MMOHQSDBPZWIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2NO2/c1-3-23-16-11-15(22)18(16)7-9-21(10-8-18)12(2)17-13(19)5-4-6-14(17)20/h4-6,12,15-16,22H,3,7-11H2,1-2H3.
What are the key properties of 7-[1-(2,6-difluorophenyl)ethyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol?
7-[1-(2,6-difluorophenyl)ethyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol has a molecular weight of 325.40 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(2,6-difluorophenyl)ethyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol is sourced from PubChem (CID 111457117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).