1-ethyl-3-[3,3,3-trifluoro-2-[2-hydroxyethyl(methyl)amino]propyl]urea

C9H18F3N3O2 — CID 175926185

IUPAC1-ethyl-3-[3,3,3-trifluoro-2-[2-hydroxyethyl(methyl)amino]propyl]urea
SMILESCCNC(=O)NCC(N(C)CCO)C(F)(F)F
InChIInChI=1S/C9H18F3N3O2/c1-3-13-8(17)14-6-7(9(10,11)12)15(2)4-5-16/h7,16H,3-6H2,1-2H3,(H2,13,14,17)
InChIKeyQNNDKOAKINSFOO-UHFFFAOYSA-N
MW257.26 g/mol
LogP0.16
Rot. Bonds6

About 1-ethyl-3-[3,3,3-trifluoro-2-[2-hydroxyethyl(methyl)amino]propyl]urea

1-ethyl-3-[3,3,3-trifluoro-2-[2-hydroxyethyl(methyl)amino]propyl]urea (PubChem CID 175926185) has the molecular formula C9H18F3N3O2 and a molecular weight of 257.26 g/mol. Its IUPAC name is 1-ethyl-3-[3,3,3-trifluoro-2-[2-hydroxyethyl(methyl)amino]propyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[3,3,3-trifluoro-2-[2-hydroxyethyl(methyl)amino]propyl]urea
PubChem CID175926185
Molecular FormulaC9H18F3N3O2
Molecular Weight257.26 g/mol
Exact Mass257.14
IUPAC Name1-ethyl-3-[3,3,3-trifluoro-2-[2-hydroxyethyl(methyl)amino]propyl]urea
SMILESCCNC(=O)NCC(N(C)CCO)C(F)(F)F
InChIInChI=1S/C9H18F3N3O2/c1-3-13-8(17)14-6-7(9(10,11)12)15(2)4-5-16/h7,16H,3-6H2,1-2H3,(H2,13,14,17)
InChIKeyQNNDKOAKINSFOO-UHFFFAOYSA-N
XLogP0.16
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-3-[3,3,3-trifluoro-2-[2-hydroxyethyl(methyl)amino]propyl]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-ethyl-3-[3,3,3-trifluoro-2-[2-hydroxyethyl(methyl)amino]propyl]urea?
The IUPAC name of 1-ethyl-3-[3,3,3-trifluoro-2-[2-hydroxyethyl(methyl)amino]propyl]urea (CID 175926185) is 1-ethyl-3-[3,3,3-trifluoro-2-[2-hydroxyethyl(methyl)amino]propyl]urea.
What is the SMILES notation for 1-ethyl-3-[3,3,3-trifluoro-2-[2-hydroxyethyl(methyl)amino]propyl]urea?
The canonical SMILES for 1-ethyl-3-[3,3,3-trifluoro-2-[2-hydroxyethyl(methyl)amino]propyl]urea is CCNC(=O)NCC(N(C)CCO)C(F)(F)F.
What is the InChIKey of 1-ethyl-3-[3,3,3-trifluoro-2-[2-hydroxyethyl(methyl)amino]propyl]urea?
The InChIKey is QNNDKOAKINSFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N3O2/c1-3-13-8(17)14-6-7(9(10,11)12)15(2)4-5-16/h7,16H,3-6H2,1-2H3,(H2,13,14,17).
What are the key properties of 1-ethyl-3-[3,3,3-trifluoro-2-[2-hydroxyethyl(methyl)amino]propyl]urea?
1-ethyl-3-[3,3,3-trifluoro-2-[2-hydroxyethyl(methyl)amino]propyl]urea has a molecular weight of 257.26 g/mol, XLogP of 0.16, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3,3,3-trifluoro-2-[2-hydroxyethyl(methyl)amino]propyl]urea is sourced from PubChem (CID 175926185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).