1-[2-(2-hydroxyethoxy)ethyl]-3-(2,2,2-trifluoroethyl)urea

C7H13F3N2O3 — CID 115605709

IUPAC1-[2-(2-hydroxyethoxy)ethyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCCOCCO)NCC(F)(F)F
InChIInChI=1S/C7H13F3N2O3/c8-7(9,10)5-12-6(14)11-1-3-15-4-2-13/h13H,1-5H2,(H2,11,12,14)
InChIKeyAXGMDYZFAUFFMV-UHFFFAOYSA-N
MW230.19 g/mol
LogP-0.14
Rot. Bonds6

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

1-[2-(2-hydroxyethoxy)ethyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 115605709) has the molecular formula C7H13F3N2O3 and a molecular weight of 230.19 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethoxy)ethyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[2-(2-hydroxyethoxy)ethyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID115605709
Molecular FormulaC7H13F3N2O3
Molecular Weight230.19 g/mol
Exact Mass230.09
IUPAC Name1-[2-(2-hydroxyethoxy)ethyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCCOCCO)NCC(F)(F)F
InChIInChI=1S/C7H13F3N2O3/c8-7(9,10)5-12-6(14)11-1-3-15-4-2-13/h13H,1-5H2,(H2,11,12,14)
InChIKeyAXGMDYZFAUFFMV-UHFFFAOYSA-N
XLogP-0.14
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 5-0.14
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

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-(2-Hydroxyethoxy)ethyl]-3-(trifluoromethyl)urea
CID 108865956
1-(2-Hydroxy-3-methoxypropyl)-3-(2,2,2-trifluoroethyl)urea
CID 111425496

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethoxy)ethyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[2-(2-hydroxyethoxy)ethyl]-3-(2,2,2-trifluoroethyl)urea (CID 115605709) is 1-[2-(2-hydroxyethoxy)ethyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[2-(2-hydroxyethoxy)ethyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[2-(2-hydroxyethoxy)ethyl]-3-(2,2,2-trifluoroethyl)urea is O=C(NCCOCCO)NCC(F)(F)F.
What is the InChIKey of 1-[2-(2-hydroxyethoxy)ethyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is AXGMDYZFAUFFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O3/c8-7(9,10)5-12-6(14)11-1-3-15-4-2-13/h13H,1-5H2,(H2,11,12,14).
What are the key properties of 1-[2-(2-hydroxyethoxy)ethyl]-3-(2,2,2-trifluoroethyl)urea?
1-[2-(2-hydroxyethoxy)ethyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 230.19 g/mol, XLogP of -0.14, 6 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-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 115605709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).