2-[2-(trifluoromethoxy)ethylamino]ethylurea

C6H12F3N3O2 — CID 83113028

IUPAC2-[2-(trifluoromethoxy)ethylamino]ethylurea
SMILESNC(=O)NCCNCCOC(F)(F)F
InChIInChI=1S/C6H12F3N3O2/c7-6(8,9)14-4-3-11-1-2-12-5(10)13/h11H,1-4H2,(H3,10,12,13)
InChIKeyOETQFWJXGMCFMC-UHFFFAOYSA-N
MW215.17 g/mol
LogP-0.22
Rot. Bonds6

About 2-[2-(trifluoromethoxy)ethylamino]ethylurea

2-[2-(trifluoromethoxy)ethylamino]ethylurea (PubChem CID 83113028) has the molecular formula C6H12F3N3O2 and a molecular weight of 215.17 g/mol. Its IUPAC name is 2-[2-(trifluoromethoxy)ethylamino]ethylurea.

Molecular Properties

Compound Name2-[2-(trifluoromethoxy)ethylamino]ethylurea
PubChem CID83113028
Molecular FormulaC6H12F3N3O2
Molecular Weight215.17 g/mol
Exact Mass215.09
IUPAC Name2-[2-(trifluoromethoxy)ethylamino]ethylurea
SMILESNC(=O)NCCNCCOC(F)(F)F
InChIInChI=1S/C6H12F3N3O2/c7-6(8,9)14-4-3-11-1-2-12-5(10)13/h11H,1-4H2,(H3,10,12,13)
InChIKeyOETQFWJXGMCFMC-UHFFFAOYSA-N
XLogP-0.22
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(trifluoromethoxy)ethylurea
CID 131225743
2-[2-(2-aminoethylamino)ethylamino]ethylurea
CID 175595434
2-(3,3-dimethylbutylamino)ethylurea
CID 83109796
methyl 2-chloro-3-[2-(trifluoromethoxy)ethylamino]propanoate
CID 103491950
2-(1,2,2,2-tetrafluoroethoxy)ethylurea
CID 57024872
3-[2-(trifluoromethoxy)ethylcarbamoylamino]propanoic acid
CID 122011441
2-(6-hydroxyhexylamino)ethylurea
CID 107703572
bis[2-(carbamoylamino)ethyl] oxalate
CID 175560213
3-methoxypropylurea
CID 2064040
4-[2-(trifluoromethoxy)ethylcarbamoylamino]butanoic acid
CID 122011442
1-[2-(trifluoromethoxy)ethylamino]cyclobutane-1-carboxylic acid
CID 81166915
N-[2-(2-methoxyethylamino)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 113344912

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethoxy)ethylamino]ethylurea?
The IUPAC name of 2-[2-(trifluoromethoxy)ethylamino]ethylurea (CID 83113028) is 2-[2-(trifluoromethoxy)ethylamino]ethylurea.
What is the SMILES notation for 2-[2-(trifluoromethoxy)ethylamino]ethylurea?
The canonical SMILES for 2-[2-(trifluoromethoxy)ethylamino]ethylurea is NC(=O)NCCNCCOC(F)(F)F.
What is the InChIKey of 2-[2-(trifluoromethoxy)ethylamino]ethylurea?
The InChIKey is OETQFWJXGMCFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3N3O2/c7-6(8,9)14-4-3-11-1-2-12-5(10)13/h11H,1-4H2,(H3,10,12,13).
What are the key properties of 2-[2-(trifluoromethoxy)ethylamino]ethylurea?
2-[2-(trifluoromethoxy)ethylamino]ethylurea has a molecular weight of 215.17 g/mol, XLogP of -0.22, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethoxy)ethylamino]ethylurea is sourced from PubChem (CID 83113028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).