1-ethyl-1-(1-methoxypropan-2-yl)-3-(2,2,2-trifluoroethyl)urea

C9H17F3N2O2 — CID 115605723

IUPAC1-ethyl-1-(1-methoxypropan-2-yl)-3-(2,2,2-trifluoroethyl)urea
SMILESCCN(C(=O)NCC(F)(F)F)C(C)COC
InChIInChI=1S/C9H17F3N2O2/c1-4-14(7(2)5-16-3)8(15)13-6-9(10,11)12/h7H,4-6H2,1-3H3,(H,13,15)
InChIKeyOUWOLDANIKVMHA-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.62
Rot. Bonds5

About 1-ethyl-1-(1-methoxypropan-2-yl)-3-(2,2,2-trifluoroethyl)urea

1-ethyl-1-(1-methoxypropan-2-yl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 115605723) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 1-ethyl-1-(1-methoxypropan-2-yl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-ethyl-1-(1-methoxypropan-2-yl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID115605723
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC Name1-ethyl-1-(1-methoxypropan-2-yl)-3-(2,2,2-trifluoroethyl)urea
SMILESCCN(C(=O)NCC(F)(F)F)C(C)COC
InChIInChI=1S/C9H17F3N2O2/c1-4-14(7(2)5-16-3)8(15)13-6-9(10,11)12/h7H,4-6H2,1-3H3,(H,13,15)
InChIKeyOUWOLDANIKVMHA-UHFFFAOYSA-N
XLogP1.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-ethyl-1-(1-methoxypropan-2-yl)-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-ethyl-1-(1-methoxypropan-2-yl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-ethyl-1-(1-methoxypropan-2-yl)-3-(2,2,2-trifluoroethyl)urea (CID 115605723) is 1-ethyl-1-(1-methoxypropan-2-yl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-ethyl-1-(1-methoxypropan-2-yl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-ethyl-1-(1-methoxypropan-2-yl)-3-(2,2,2-trifluoroethyl)urea is CCN(C(=O)NCC(F)(F)F)C(C)COC.
What is the InChIKey of 1-ethyl-1-(1-methoxypropan-2-yl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is OUWOLDANIKVMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-4-14(7(2)5-16-3)8(15)13-6-9(10,11)12/h7H,4-6H2,1-3H3,(H,13,15).
What are the key properties of 1-ethyl-1-(1-methoxypropan-2-yl)-3-(2,2,2-trifluoroethyl)urea?
1-ethyl-1-(1-methoxypropan-2-yl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 242.24 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(1-methoxypropan-2-yl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 115605723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).