4-[(5-tert-butyl-2,3,4-trideuterio-6-fluorophenyl)-dideuteriomethyl]-2,3,3,5,5,6-hexadeuterio-2-methyl-6-(trideuteriomethyl)morpholine

C17H26FNO — CID 160532816

IUPAC4-[(5-tert-butyl-2,3,4-trideuterio-6-fluorophenyl)-dideuteriomethyl]-2,3,3,5,5,6-hexadeuterio-2-methyl-6-(trideuteriomethyl)morpholine
SMILES[2H]c1c([2H])c(C(C)(C)C)c(F)c(C([2H])([2H])N2C([2H])([2H])C([2H])(C)OC([2H])(C([2H])([2H])[2H])C2([2H])[2H])c1[2H]
InChIInChI=1S/C17H26FNO/c1-12-9-19(10-13(2)20-12)11-14-7-6-8-15(16(14)18)17(3,4)5/h6-8,12-13H,9-11H2,1-5H3/i1D3,6D,7D,8D,9D2,10D2,11D2,12D,13D
InChIKeyZEQZEWGXKWJVQY-ACKYFZGLSA-N
MW293.48 g/mol
LogP3.73
Rot. Bonds3

About 4-[(5-tert-butyl-2,3,4-trideuterio-6-fluorophenyl)-dideuteriomethyl]-2,3,3,5,5,6-hexadeuterio-2-methyl-6-(trideuteriomethyl)morpholine

4-[(5-tert-butyl-2,3,4-trideuterio-6-fluorophenyl)-dideuteriomethyl]-2,3,3,5,5,6-hexadeuterio-2-methyl-6-(trideuteriomethyl)morpholine (PubChem CID 160532816) has the molecular formula C17H26FNO and a molecular weight of 293.48 g/mol. Its IUPAC name is 4-[(5-tert-butyl-2,3,4-trideuterio-6-fluorophenyl)-dideuteriomethyl]-2,3,3,5,5,6-hexadeuterio-2-methyl-6-(trideuteriomethyl)morpholine.

Molecular Properties

Compound Name4-[(5-tert-butyl-2,3,4-trideuterio-6-fluorophenyl)-dideuteriomethyl]-2,3,3,5,5,6-hexadeuterio-2-methyl-6-(trideuteriomethyl)morpholine
PubChem CID160532816
Molecular FormulaC17H26FNO
Molecular Weight293.48 g/mol
Exact Mass293.29
IUPAC Name4-[(5-tert-butyl-2,3,4-trideuterio-6-fluorophenyl)-dideuteriomethyl]-2,3,3,5,5,6-hexadeuterio-2-methyl-6-(trideuteriomethyl)morpholine
SMILES[2H]c1c([2H])c(C(C)(C)C)c(F)c(C([2H])([2H])N2C([2H])([2H])C([2H])(C)OC([2H])(C([2H])([2H])[2H])C2([2H])[2H])c1[2H]
InChIInChI=1S/C17H26FNO/c1-12-9-19(10-13(2)20-12)11-14-7-6-8-15(16(14)18)17(3,4)5/h6-8,12-13H,9-11H2,1-5H3/i1D3,6D,7D,8D,9D2,10D2,11D2,12D,13D
InChIKeyZEQZEWGXKWJVQY-ACKYFZGLSA-N
XLogP3.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[(5-tert-butyl-2,3,4-trideuterio-6-fluorophenyl)-dideuteriomethyl]-2,3,3,5,5,6-hexadeuterio-2-methyl-6-(trideuteriomethyl)morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-tert-butyl-2,3,4-trideuterio-6-fluorophenyl)-dideuteriomethyl]-2,3,3,5,5,6-hexadeuterio-2-methyl-6-(trideuteriomethyl)morpholine?
The IUPAC name of 4-[(5-tert-butyl-2,3,4-trideuterio-6-fluorophenyl)-dideuteriomethyl]-2,3,3,5,5,6-hexadeuterio-2-methyl-6-(trideuteriomethyl)morpholine (CID 160532816) is 4-[(5-tert-butyl-2,3,4-trideuterio-6-fluorophenyl)-dideuteriomethyl]-2,3,3,5,5,6-hexadeuterio-2-methyl-6-(trideuteriomethyl)morpholine.
What is the SMILES notation for 4-[(5-tert-butyl-2,3,4-trideuterio-6-fluorophenyl)-dideuteriomethyl]-2,3,3,5,5,6-hexadeuterio-2-methyl-6-(trideuteriomethyl)morpholine?
The canonical SMILES for 4-[(5-tert-butyl-2,3,4-trideuterio-6-fluorophenyl)-dideuteriomethyl]-2,3,3,5,5,6-hexadeuterio-2-methyl-6-(trideuteriomethyl)morpholine is [2H]c1c([2H])c(C(C)(C)C)c(F)c(C([2H])([2H])N2C([2H])([2H])C([2H])(C)OC([2H])(C([2H])([2H])[2H])C2([2H])[2H])c1[2H].
What is the InChIKey of 4-[(5-tert-butyl-2,3,4-trideuterio-6-fluorophenyl)-dideuteriomethyl]-2,3,3,5,5,6-hexadeuterio-2-methyl-6-(trideuteriomethyl)morpholine?
The InChIKey is ZEQZEWGXKWJVQY-ACKYFZGLSA-N. The full InChI is InChI=1S/C17H26FNO/c1-12-9-19(10-13(2)20-12)11-14-7-6-8-15(16(14)18)17(3,4)5/h6-8,12-13H,9-11H2,1-5H3/i1D3,6D,7D,8D,9D2,10D2,11D2,12D,13D.
What are the key properties of 4-[(5-tert-butyl-2,3,4-trideuterio-6-fluorophenyl)-dideuteriomethyl]-2,3,3,5,5,6-hexadeuterio-2-methyl-6-(trideuteriomethyl)morpholine?
4-[(5-tert-butyl-2,3,4-trideuterio-6-fluorophenyl)-dideuteriomethyl]-2,3,3,5,5,6-hexadeuterio-2-methyl-6-(trideuteriomethyl)morpholine has a molecular weight of 293.48 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-tert-butyl-2,3,4-trideuterio-6-fluorophenyl)-dideuteriomethyl]-2,3,3,5,5,6-hexadeuterio-2-methyl-6-(trideuteriomethyl)morpholine is sourced from PubChem (CID 160532816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).