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

C15H15F2NO6 — CID 68740294

IUPAC2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]acetic acid
SMILESO=C(O)COc1cc(C2=NOC3(CCOC3)C2)ccc1OC(F)F
InChIInChI=1S/C15H15F2NO6/c16-14(17)23-11-2-1-9(5-12(11)22-7-13(19)20)10-6-15(24-18-10)3-4-21-8-15/h1-2,5,14H,3-4,6-8H2,(H,19,20)
InChIKeyOLCMTZWNYUJRBK-UHFFFAOYSA-N
MW343.28 g/mol
LogP2.03
Rot. Bonds6

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

2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]acetic acid (PubChem CID 68740294) has the molecular formula C15H15F2NO6 and a molecular weight of 343.28 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]acetic acid
PubChem CID68740294
Molecular FormulaC15H15F2NO6
Molecular Weight343.28 g/mol
Exact Mass343.09
IUPAC Name2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]acetic acid
SMILESO=C(O)COc1cc(C2=NOC3(CCOC3)C2)ccc1OC(F)F
InChIInChI=1S/C15H15F2NO6/c16-14(17)23-11-2-1-9(5-12(11)22-7-13(19)20)10-6-15(24-18-10)3-4-21-8-15/h1-2,5,14H,3-4,6-8H2,(H,19,20)
InChIKeyOLCMTZWNYUJRBK-UHFFFAOYSA-N
XLogP2.03
TPSA86.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
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-2-en-3-yl)phenoxy]acetic acid?
The IUPAC name of 2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]acetic acid (CID 68740294) is 2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]acetic acid?
The canonical SMILES for 2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]acetic acid is O=C(O)COc1cc(C2=NOC3(CCOC3)C2)ccc1OC(F)F.
What is the InChIKey of 2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]acetic acid?
The InChIKey is OLCMTZWNYUJRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO6/c16-14(17)23-11-2-1-9(5-12(11)22-7-13(19)20)10-6-15(24-18-10)3-4-21-8-15/h1-2,5,14H,3-4,6-8H2,(H,19,20).
What are the key properties of 2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]acetic acid?
2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]acetic acid has a molecular weight of 343.28 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 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-2-en-3-yl)phenoxy]acetic acid is sourced from PubChem (CID 68740294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).