(3S,5R)-3-[6-(difluoromethoxy)pyridazin-3-yl]-5-methylmorpholine

C10H13F2N3O2 — CID 164536947

IUPAC(3S,5R)-3-[6-(difluoromethoxy)pyridazin-3-yl]-5-methylmorpholine
SMILESC[C@@H]1COC[C@H](c2ccc(OC(F)F)nn2)N1
InChIInChI=1S/C10H13F2N3O2/c1-6-4-16-5-8(13-6)7-2-3-9(15-14-7)17-10(11)12/h2-3,6,8,10,13H,4-5H2,1H3/t6-,8-/m1/s1
InChIKeyJPBHSEBOHAWXIH-HTRCEHHLSA-N
MW245.23 g/mol
LogP1.13
Rot. Bonds3

About (3S,5R)-3-[6-(difluoromethoxy)pyridazin-3-yl]-5-methylmorpholine

(3S,5R)-3-[6-(difluoromethoxy)pyridazin-3-yl]-5-methylmorpholine (PubChem CID 164536947) has the molecular formula C10H13F2N3O2 and a molecular weight of 245.23 g/mol. Its IUPAC name is (3S,5R)-3-[6-(difluoromethoxy)pyridazin-3-yl]-5-methylmorpholine.

Molecular Properties

Compound Name(3S,5R)-3-[6-(difluoromethoxy)pyridazin-3-yl]-5-methylmorpholine
PubChem CID164536947
Molecular FormulaC10H13F2N3O2
Molecular Weight245.23 g/mol
Exact Mass245.10
IUPAC Name(3S,5R)-3-[6-(difluoromethoxy)pyridazin-3-yl]-5-methylmorpholine
SMILESC[C@@H]1COC[C@H](c2ccc(OC(F)F)nn2)N1
InChIInChI=1S/C10H13F2N3O2/c1-6-4-16-5-8(13-6)7-2-3-9(15-14-7)17-10(11)12/h2-3,6,8,10,13H,4-5H2,1H3/t6-,8-/m1/s1
InChIKeyJPBHSEBOHAWXIH-HTRCEHHLSA-N
XLogP1.13
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3-[6-(difluoromethoxy)pyridazin-3-yl]-5-methylmorpholine?
The IUPAC name of (3S,5R)-3-[6-(difluoromethoxy)pyridazin-3-yl]-5-methylmorpholine (CID 164536947) is (3S,5R)-3-[6-(difluoromethoxy)pyridazin-3-yl]-5-methylmorpholine.
What is the SMILES notation for (3S,5R)-3-[6-(difluoromethoxy)pyridazin-3-yl]-5-methylmorpholine?
The canonical SMILES for (3S,5R)-3-[6-(difluoromethoxy)pyridazin-3-yl]-5-methylmorpholine is C[C@@H]1COC[C@H](c2ccc(OC(F)F)nn2)N1.
What is the InChIKey of (3S,5R)-3-[6-(difluoromethoxy)pyridazin-3-yl]-5-methylmorpholine?
The InChIKey is JPBHSEBOHAWXIH-HTRCEHHLSA-N. The full InChI is InChI=1S/C10H13F2N3O2/c1-6-4-16-5-8(13-6)7-2-3-9(15-14-7)17-10(11)12/h2-3,6,8,10,13H,4-5H2,1H3/t6-,8-/m1/s1.
What are the key properties of (3S,5R)-3-[6-(difluoromethoxy)pyridazin-3-yl]-5-methylmorpholine?
(3S,5R)-3-[6-(difluoromethoxy)pyridazin-3-yl]-5-methylmorpholine has a molecular weight of 245.23 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3-[6-(difluoromethoxy)pyridazin-3-yl]-5-methylmorpholine is sourced from PubChem (CID 164536947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).