3,3,3-trifluoro-1-morpholin-4-yl-2-(morpholin-4-ylmethyl)propan-1-one

C12H19F3N2O3 — CID 134918179

IUPAC3,3,3-trifluoro-1-morpholin-4-yl-2-(morpholin-4-ylmethyl)propan-1-one
SMILESO=C(C(CN1CCOCC1)C(F)(F)F)N1CCOCC1
InChIInChI=1S/C12H19F3N2O3/c13-12(14,15)10(9-16-1-5-19-6-2-16)11(18)17-3-7-20-8-4-17/h10H,1-9H2
InChIKeyXBCXEQKUVFIVIF-UHFFFAOYSA-N
MW296.29 g/mol
LogP0.36
Rot. Bonds3

About 3,3,3-trifluoro-1-morpholin-4-yl-2-(morpholin-4-ylmethyl)propan-1-one

3,3,3-trifluoro-1-morpholin-4-yl-2-(morpholin-4-ylmethyl)propan-1-one (PubChem CID 134918179) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-morpholin-4-yl-2-(morpholin-4-ylmethyl)propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-morpholin-4-yl-2-(morpholin-4-ylmethyl)propan-1-one
PubChem CID134918179
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC Name3,3,3-trifluoro-1-morpholin-4-yl-2-(morpholin-4-ylmethyl)propan-1-one
SMILESO=C(C(CN1CCOCC1)C(F)(F)F)N1CCOCC1
InChIInChI=1S/C12H19F3N2O3/c13-12(14,15)10(9-16-1-5-19-6-2-16)11(18)17-3-7-20-8-4-17/h10H,1-9H2
InChIKeyXBCXEQKUVFIVIF-UHFFFAOYSA-N
XLogP0.36
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-morpholin-4-yl-2-(morpholin-4-ylmethyl)propan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-morpholin-4-yl-2-(morpholin-4-ylmethyl)propan-1-one (CID 134918179) is 3,3,3-trifluoro-1-morpholin-4-yl-2-(morpholin-4-ylmethyl)propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-morpholin-4-yl-2-(morpholin-4-ylmethyl)propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-morpholin-4-yl-2-(morpholin-4-ylmethyl)propan-1-one is O=C(C(CN1CCOCC1)C(F)(F)F)N1CCOCC1.
What is the InChIKey of 3,3,3-trifluoro-1-morpholin-4-yl-2-(morpholin-4-ylmethyl)propan-1-one?
The InChIKey is XBCXEQKUVFIVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O3/c13-12(14,15)10(9-16-1-5-19-6-2-16)11(18)17-3-7-20-8-4-17/h10H,1-9H2.
What are the key properties of 3,3,3-trifluoro-1-morpholin-4-yl-2-(morpholin-4-ylmethyl)propan-1-one?
3,3,3-trifluoro-1-morpholin-4-yl-2-(morpholin-4-ylmethyl)propan-1-one has a molecular weight of 296.29 g/mol, XLogP of 0.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-morpholin-4-yl-2-(morpholin-4-ylmethyl)propan-1-one is sourced from PubChem (CID 134918179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).