1-[2-(2-hydroxyethoxy)ethyl]-3-(trifluoromethyl)urea

C6H11F3N2O3 — CID 108865956

IUPAC1-[2-(2-hydroxyethoxy)ethyl]-3-(trifluoromethyl)urea
SMILESO=C(NCCOCCO)NC(F)(F)F
InChIInChI=1S/C6H11F3N2O3/c7-6(8,9)11-5(13)10-1-3-14-4-2-12/h12H,1-4H2,(H2,10,11,13)
InChIKeyZSNYMHVSJQNEAT-UHFFFAOYSA-N
MW216.16 g/mol
LogP-0.19
Rot. Bonds5

About 1-[2-(2-hydroxyethoxy)ethyl]-3-(trifluoromethyl)urea

1-[2-(2-hydroxyethoxy)ethyl]-3-(trifluoromethyl)urea (PubChem CID 108865956) has the molecular formula C6H11F3N2O3 and a molecular weight of 216.16 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethoxy)ethyl]-3-(trifluoromethyl)urea.

Molecular Properties

Compound Name1-[2-(2-hydroxyethoxy)ethyl]-3-(trifluoromethyl)urea
PubChem CID108865956
Molecular FormulaC6H11F3N2O3
Molecular Weight216.16 g/mol
Exact Mass216.07
IUPAC Name1-[2-(2-hydroxyethoxy)ethyl]-3-(trifluoromethyl)urea
SMILESO=C(NCCOCCO)NC(F)(F)F
InChIInChI=1S/C6H11F3N2O3/c7-6(8,9)11-5(13)10-1-3-14-4-2-12/h12H,1-4H2,(H2,10,11,13)
InChIKeyZSNYMHVSJQNEAT-UHFFFAOYSA-N
XLogP-0.19
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.16
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Poly(oxy-1,2-ethanediyl), alpha-(2-((aminocarbonyl)amino)ethyl)-omega-hydroxy-
CID 22381326
1,3-Bis[2-(2-hydroxyethoxy)ethyl]urea
CID 54130249
1-(2-Hydroxyethyl)-3-(trifluoromethyl)urea
CID 108865988
N-[2-(2-hydroxyethoxy)ethyl]carbamoyl fluoride
CID 123334431
2-(2,2,2-Trifluoroethoxy)ethylurea
CID 60728557
1-[2-(2,2-Difluoroethoxy)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 103081959
1-[2-(2,2-Difluoroethoxy)ethyl]-3-ethylurea
CID 103082295
2-(2,2-Difluoroethoxy)ethylurea
CID 103090767
1-[2-(2,2-Difluoroethoxy)ethyl]-3-methylurea
CID 103090783
1-[3-(2-Hydroxyethoxy)propyl]-3-(2,2,2-trifluoroethyl)urea
CID 103993142
1-(2-Hydroxy-3-methoxypropyl)-3-(2,2,2-trifluoroethyl)urea
CID 111425496
1-[2-(2,2,2-Trifluoroethoxy)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 113223589

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethoxy)ethyl]-3-(trifluoromethyl)urea?
The IUPAC name of 1-[2-(2-hydroxyethoxy)ethyl]-3-(trifluoromethyl)urea (CID 108865956) is 1-[2-(2-hydroxyethoxy)ethyl]-3-(trifluoromethyl)urea.
What is the SMILES notation for 1-[2-(2-hydroxyethoxy)ethyl]-3-(trifluoromethyl)urea?
The canonical SMILES for 1-[2-(2-hydroxyethoxy)ethyl]-3-(trifluoromethyl)urea is O=C(NCCOCCO)NC(F)(F)F.
What is the InChIKey of 1-[2-(2-hydroxyethoxy)ethyl]-3-(trifluoromethyl)urea?
The InChIKey is ZSNYMHVSJQNEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O3/c7-6(8,9)11-5(13)10-1-3-14-4-2-12/h12H,1-4H2,(H2,10,11,13).
What are the key properties of 1-[2-(2-hydroxyethoxy)ethyl]-3-(trifluoromethyl)urea?
1-[2-(2-hydroxyethoxy)ethyl]-3-(trifluoromethyl)urea has a molecular weight of 216.16 g/mol, XLogP of -0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethoxy)ethyl]-3-(trifluoromethyl)urea is sourced from PubChem (CID 108865956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).