(1S,5R)-8-(6,7-difluoroquinoxalin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol

C15H15F2N3O — CID 99597937

IUPAC(1S,5R)-8-(6,7-difluoroquinoxalin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1C[C@H]2CC[C@@H](C1)N2c1cnc2cc(F)c(F)cc2n1
InChIInChI=1S/C15H15F2N3O/c16-11-5-13-14(6-12(11)17)19-15(7-18-13)20-8-1-2-9(20)4-10(21)3-8/h5-10,21H,1-4H2/t8-,9+,10?
InChIKeyNWTZVRNBTGJMHA-ULKQDVFKSA-N
MW291.30 g/mol
LogP2.40
Rot. Bonds1

About (1S,5R)-8-(6,7-difluoroquinoxalin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol

(1S,5R)-8-(6,7-difluoroquinoxalin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 99597937) has the molecular formula C15H15F2N3O and a molecular weight of 291.30 g/mol. Its IUPAC name is (1S,5R)-8-(6,7-difluoroquinoxalin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(1S,5R)-8-(6,7-difluoroquinoxalin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID99597937
Molecular FormulaC15H15F2N3O
Molecular Weight291.30 g/mol
Exact Mass291.12
IUPAC Name(1S,5R)-8-(6,7-difluoroquinoxalin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1C[C@H]2CC[C@@H](C1)N2c1cnc2cc(F)c(F)cc2n1
InChIInChI=1S/C15H15F2N3O/c16-11-5-13-14(6-12(11)17)19-15(7-18-13)20-8-1-2-9(20)4-10(21)3-8/h5-10,21H,1-4H2/t8-,9+,10?
InChIKeyNWTZVRNBTGJMHA-ULKQDVFKSA-N
XLogP2.40
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-8-(6,7-difluoroquinoxalin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of (1S,5R)-8-(6,7-difluoroquinoxalin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol (CID 99597937) is (1S,5R)-8-(6,7-difluoroquinoxalin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (1S,5R)-8-(6,7-difluoroquinoxalin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (1S,5R)-8-(6,7-difluoroquinoxalin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol is OC1C[C@H]2CC[C@@H](C1)N2c1cnc2cc(F)c(F)cc2n1.
What is the InChIKey of (1S,5R)-8-(6,7-difluoroquinoxalin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is NWTZVRNBTGJMHA-ULKQDVFKSA-N. The full InChI is InChI=1S/C15H15F2N3O/c16-11-5-13-14(6-12(11)17)19-15(7-18-13)20-8-1-2-9(20)4-10(21)3-8/h5-10,21H,1-4H2/t8-,9+,10?.
What are the key properties of (1S,5R)-8-(6,7-difluoroquinoxalin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
(1S,5R)-8-(6,7-difluoroquinoxalin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 291.30 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-8-(6,7-difluoroquinoxalin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 99597937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).