6-chloro-2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)quinoxaline

C15H14ClF2N3 — CID 172893506

IUPAC6-chloro-2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)quinoxaline
SMILESFC1(F)CC12CCN(c1cnc3cc(Cl)ccc3n1)CC2
InChIInChI=1S/C15H14ClF2N3/c16-10-1-2-11-12(7-10)19-8-13(20-11)21-5-3-14(4-6-21)9-15(14,17)18/h1-2,7-8H,3-6,9H2
InChIKeySWRQVWGCPGWZBX-UHFFFAOYSA-N
MW309.75 g/mol
LogP3.91
Rot. Bonds1

About 6-chloro-2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)quinoxaline

6-chloro-2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)quinoxaline (PubChem CID 172893506) has the molecular formula C15H14ClF2N3 and a molecular weight of 309.75 g/mol. Its IUPAC name is 6-chloro-2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)quinoxaline.

Molecular Properties

Compound Name6-chloro-2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)quinoxaline
PubChem CID172893506
Molecular FormulaC15H14ClF2N3
Molecular Weight309.75 g/mol
Exact Mass309.08
IUPAC Name6-chloro-2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)quinoxaline
SMILESFC1(F)CC12CCN(c1cnc3cc(Cl)ccc3n1)CC2
InChIInChI=1S/C15H14ClF2N3/c16-10-1-2-11-12(7-10)19-8-13(20-11)21-5-3-14(4-6-21)9-15(14,17)18/h1-2,7-8H,3-6,9H2
InChIKeySWRQVWGCPGWZBX-UHFFFAOYSA-N
XLogP3.91
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)quinoxaline?
The IUPAC name of 6-chloro-2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)quinoxaline (CID 172893506) is 6-chloro-2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)quinoxaline.
What is the SMILES notation for 6-chloro-2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)quinoxaline?
The canonical SMILES for 6-chloro-2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)quinoxaline is FC1(F)CC12CCN(c1cnc3cc(Cl)ccc3n1)CC2.
What is the InChIKey of 6-chloro-2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)quinoxaline?
The InChIKey is SWRQVWGCPGWZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N3/c16-10-1-2-11-12(7-10)19-8-13(20-11)21-5-3-14(4-6-21)9-15(14,17)18/h1-2,7-8H,3-6,9H2.
What are the key properties of 6-chloro-2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)quinoxaline?
6-chloro-2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)quinoxaline has a molecular weight of 309.75 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)quinoxaline is sourced from PubChem (CID 172893506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).