4-(6,7-difluoroquinoxalin-2-yl)-1,9-dioxa-4-azaspiro[5.5]undecane

C16H17F2N3O2 — CID 122137996

IUPAC4-(6,7-difluoroquinoxalin-2-yl)-1,9-dioxa-4-azaspiro[5.5]undecane
SMILESFc1cc2ncc(N3CCOC4(CCOCC4)C3)nc2cc1F
InChIInChI=1S/C16H17F2N3O2/c17-11-7-13-14(8-12(11)18)20-15(9-19-13)21-3-6-23-16(10-21)1-4-22-5-2-16/h7-9H,1-6,10H2
InChIKeyXHECINNDSXINRQ-UHFFFAOYSA-N
MW321.33 g/mol
LogP2.29
Rot. Bonds1

About 4-(6,7-difluoroquinoxalin-2-yl)-1,9-dioxa-4-azaspiro[5.5]undecane

4-(6,7-difluoroquinoxalin-2-yl)-1,9-dioxa-4-azaspiro[5.5]undecane (PubChem CID 122137996) has the molecular formula C16H17F2N3O2 and a molecular weight of 321.33 g/mol. Its IUPAC name is 4-(6,7-difluoroquinoxalin-2-yl)-1,9-dioxa-4-azaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(6,7-difluoroquinoxalin-2-yl)-1,9-dioxa-4-azaspiro[5.5]undecane
PubChem CID122137996
Molecular FormulaC16H17F2N3O2
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name4-(6,7-difluoroquinoxalin-2-yl)-1,9-dioxa-4-azaspiro[5.5]undecane
SMILESFc1cc2ncc(N3CCOC4(CCOCC4)C3)nc2cc1F
InChIInChI=1S/C16H17F2N3O2/c17-11-7-13-14(8-12(11)18)20-15(9-19-13)21-3-6-23-16(10-21)1-4-22-5-2-16/h7-9H,1-6,10H2
InChIKeyXHECINNDSXINRQ-UHFFFAOYSA-N
XLogP2.29
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6,7-difluoroquinoxalin-2-yl)-1,9-dioxa-4-azaspiro[5.5]undecane?
The IUPAC name of 4-(6,7-difluoroquinoxalin-2-yl)-1,9-dioxa-4-azaspiro[5.5]undecane (CID 122137996) is 4-(6,7-difluoroquinoxalin-2-yl)-1,9-dioxa-4-azaspiro[5.5]undecane.
What is the SMILES notation for 4-(6,7-difluoroquinoxalin-2-yl)-1,9-dioxa-4-azaspiro[5.5]undecane?
The canonical SMILES for 4-(6,7-difluoroquinoxalin-2-yl)-1,9-dioxa-4-azaspiro[5.5]undecane is Fc1cc2ncc(N3CCOC4(CCOCC4)C3)nc2cc1F.
What is the InChIKey of 4-(6,7-difluoroquinoxalin-2-yl)-1,9-dioxa-4-azaspiro[5.5]undecane?
The InChIKey is XHECINNDSXINRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O2/c17-11-7-13-14(8-12(11)18)20-15(9-19-13)21-3-6-23-16(10-21)1-4-22-5-2-16/h7-9H,1-6,10H2.
What are the key properties of 4-(6,7-difluoroquinoxalin-2-yl)-1,9-dioxa-4-azaspiro[5.5]undecane?
4-(6,7-difluoroquinoxalin-2-yl)-1,9-dioxa-4-azaspiro[5.5]undecane has a molecular weight of 321.33 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-difluoroquinoxalin-2-yl)-1,9-dioxa-4-azaspiro[5.5]undecane is sourced from PubChem (CID 122137996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).