1-(2-methyl-2-morpholin-4-ylpropyl)-3-(2,2,2-trifluoroethyl)urea

C11H20F3N3O2 — CID 47134368

IUPAC1-(2-methyl-2-morpholin-4-ylpropyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCC(C)(CNC(=O)NCC(F)(F)F)N1CCOCC1
InChIInChI=1S/C11H20F3N3O2/c1-10(2,17-3-5-19-6-4-17)7-15-9(18)16-8-11(12,13)14/h3-8H2,1-2H3,(H2,15,16,18)
InChIKeySPDBEVRLHBBXTJ-UHFFFAOYSA-N
MW283.29 g/mol
LogP0.96
Rot. Bonds4

About 1-(2-methyl-2-morpholin-4-ylpropyl)-3-(2,2,2-trifluoroethyl)urea

1-(2-methyl-2-morpholin-4-ylpropyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 47134368) has the molecular formula C11H20F3N3O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 1-(2-methyl-2-morpholin-4-ylpropyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(2-methyl-2-morpholin-4-ylpropyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID47134368
Molecular FormulaC11H20F3N3O2
Molecular Weight283.29 g/mol
Exact Mass283.15
IUPAC Name1-(2-methyl-2-morpholin-4-ylpropyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCC(C)(CNC(=O)NCC(F)(F)F)N1CCOCC1
InChIInChI=1S/C11H20F3N3O2/c1-10(2,17-3-5-19-6-4-17)7-15-9(18)16-8-11(12,13)14/h3-8H2,1-2H3,(H2,15,16,18)
InChIKeySPDBEVRLHBBXTJ-UHFFFAOYSA-N
XLogP0.96
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2-morpholin-4-ylpropyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(2-methyl-2-morpholin-4-ylpropyl)-3-(2,2,2-trifluoroethyl)urea (CID 47134368) is 1-(2-methyl-2-morpholin-4-ylpropyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(2-methyl-2-morpholin-4-ylpropyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(2-methyl-2-morpholin-4-ylpropyl)-3-(2,2,2-trifluoroethyl)urea is CC(C)(CNC(=O)NCC(F)(F)F)N1CCOCC1.
What is the InChIKey of 1-(2-methyl-2-morpholin-4-ylpropyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is SPDBEVRLHBBXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O2/c1-10(2,17-3-5-19-6-4-17)7-15-9(18)16-8-11(12,13)14/h3-8H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-(2-methyl-2-morpholin-4-ylpropyl)-3-(2,2,2-trifluoroethyl)urea?
1-(2-methyl-2-morpholin-4-ylpropyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 283.29 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2-morpholin-4-ylpropyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 47134368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).