1-(2-morpholin-4-ylethyl)-3-(2,2,2-trifluoroethyl)urea

C9H16F3N3O2 — CID 113223406

IUPAC1-(2-morpholin-4-ylethyl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCCN1CCOCC1)NCC(F)(F)F
InChIInChI=1S/C9H16F3N3O2/c10-9(11,12)7-14-8(16)13-1-2-15-3-5-17-6-4-15/h1-7H2,(H2,13,14,16)
InChIKeyDORPVYXQZAUSCF-UHFFFAOYSA-N
MW255.24 g/mol
LogP0.18
Rot. Bonds4

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

1-(2-morpholin-4-ylethyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 113223406) has the molecular formula C9H16F3N3O2 and a molecular weight of 255.24 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID113223406
Molecular FormulaC9H16F3N3O2
Molecular Weight255.24 g/mol
Exact Mass255.12
IUPAC Name1-(2-morpholin-4-ylethyl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCCN1CCOCC1)NCC(F)(F)F
InChIInChI=1S/C9H16F3N3O2/c10-9(11,12)7-14-8(16)13-1-2-15-3-5-17-6-4-15/h1-7H2,(H2,13,14,16)
InChIKeyDORPVYXQZAUSCF-UHFFFAOYSA-N
XLogP0.18
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-morpholin-4-ylethyl)-3-(2,2,2-trifluoroethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(2-morpholin-4-ylethyl)-3-(2,2,2-trifluoroethyl)urea (CID 113223406) is 1-(2-morpholin-4-ylethyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)-3-(2,2,2-trifluoroethyl)urea is O=C(NCCN1CCOCC1)NCC(F)(F)F.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is DORPVYXQZAUSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O2/c10-9(11,12)7-14-8(16)13-1-2-15-3-5-17-6-4-15/h1-7H2,(H2,13,14,16).
What are the key properties of 1-(2-morpholin-4-ylethyl)-3-(2,2,2-trifluoroethyl)urea?
1-(2-morpholin-4-ylethyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 255.24 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 113223406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).