tert-butyl 3-(2,5-difluoropyridine-4-carbonyl)morpholine-4-carboxylate

C15H18F2N2O4 — CID 146014037

IUPACtert-butyl 3-(2,5-difluoropyridine-4-carbonyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC1C(=O)c1cc(F)ncc1F
InChIInChI=1S/C15H18F2N2O4/c1-15(2,3)23-14(21)19-4-5-22-8-11(19)13(20)9-6-12(17)18-7-10(9)16/h6-7,11H,4-5,8H2,1-3H3
InChIKeyJYUUXGJZHAHPJF-UHFFFAOYSA-N
MW328.32 g/mol
LogP2.18
Rot. Bonds2

About tert-butyl 3-(2,5-difluoropyridine-4-carbonyl)morpholine-4-carboxylate

tert-butyl 3-(2,5-difluoropyridine-4-carbonyl)morpholine-4-carboxylate (PubChem CID 146014037) has the molecular formula C15H18F2N2O4 and a molecular weight of 328.32 g/mol. Its IUPAC name is tert-butyl 3-(2,5-difluoropyridine-4-carbonyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2,5-difluoropyridine-4-carbonyl)morpholine-4-carboxylate
PubChem CID146014037
Molecular FormulaC15H18F2N2O4
Molecular Weight328.32 g/mol
Exact Mass328.12
IUPAC Nametert-butyl 3-(2,5-difluoropyridine-4-carbonyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC1C(=O)c1cc(F)ncc1F
InChIInChI=1S/C15H18F2N2O4/c1-15(2,3)23-14(21)19-4-5-22-8-11(19)13(20)9-6-12(17)18-7-10(9)16/h6-7,11H,4-5,8H2,1-3H3
InChIKeyJYUUXGJZHAHPJF-UHFFFAOYSA-N
XLogP2.18
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2,5-difluoropyridine-4-carbonyl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-(2,5-difluoropyridine-4-carbonyl)morpholine-4-carboxylate (CID 146014037) is tert-butyl 3-(2,5-difluoropyridine-4-carbonyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-(2,5-difluoropyridine-4-carbonyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-(2,5-difluoropyridine-4-carbonyl)morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOCC1C(=O)c1cc(F)ncc1F.
What is the InChIKey of tert-butyl 3-(2,5-difluoropyridine-4-carbonyl)morpholine-4-carboxylate?
The InChIKey is JYUUXGJZHAHPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O4/c1-15(2,3)23-14(21)19-4-5-22-8-11(19)13(20)9-6-12(17)18-7-10(9)16/h6-7,11H,4-5,8H2,1-3H3.
What are the key properties of tert-butyl 3-(2,5-difluoropyridine-4-carbonyl)morpholine-4-carboxylate?
tert-butyl 3-(2,5-difluoropyridine-4-carbonyl)morpholine-4-carboxylate has a molecular weight of 328.32 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2,5-difluoropyridine-4-carbonyl)morpholine-4-carboxylate is sourced from PubChem (CID 146014037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).