2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]ethanol

C15H17F2NO5 — CID 91606803

IUPAC2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]ethanol
SMILESOCCOc1cc(C2=CC3(CCOC3)ON2)ccc1OC(F)F
InChIInChI=1S/C15H17F2NO5/c16-14(17)22-12-2-1-10(7-13(12)21-6-4-19)11-8-15(23-18-11)3-5-20-9-15/h1-2,7-8,14,18-19H,3-6,9H2
InChIKeyABQGQMAIJLUZAF-UHFFFAOYSA-N
MW329.30 g/mol
LogP1.69
Rot. Bonds6

About 2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]ethanol

2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]ethanol (PubChem CID 91606803) has the molecular formula C15H17F2NO5 and a molecular weight of 329.30 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]ethanol
PubChem CID91606803
Molecular FormulaC15H17F2NO5
Molecular Weight329.30 g/mol
Exact Mass329.11
IUPAC Name2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]ethanol
SMILESOCCOc1cc(C2=CC3(CCOC3)ON2)ccc1OC(F)F
InChIInChI=1S/C15H17F2NO5/c16-14(17)22-12-2-1-10(7-13(12)21-6-4-19)11-8-15(23-18-11)3-5-20-9-15/h1-2,7-8,14,18-19H,3-6,9H2
InChIKeyABQGQMAIJLUZAF-UHFFFAOYSA-N
XLogP1.69
TPSA69.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.30
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]ethanol?
The IUPAC name of 2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]ethanol (CID 91606803) is 2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]ethanol.
What is the SMILES notation for 2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]ethanol?
The canonical SMILES for 2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]ethanol is OCCOc1cc(C2=CC3(CCOC3)ON2)ccc1OC(F)F.
What is the InChIKey of 2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]ethanol?
The InChIKey is ABQGQMAIJLUZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO5/c16-14(17)22-12-2-1-10(7-13(12)21-6-4-19)11-8-15(23-18-11)3-5-20-9-15/h1-2,7-8,14,18-19H,3-6,9H2.
What are the key properties of 2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]ethanol?
2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]ethanol has a molecular weight of 329.30 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]ethanol is sourced from PubChem (CID 91606803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).