1-ethyl-1-(3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea

C8H15F3N2O2 — CID 115662988

IUPAC1-ethyl-1-(3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCCN(CCCO)C(=O)NCC(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-2-13(4-3-5-14)7(15)12-6-8(9,10)11/h14H,2-6H2,1H3,(H,12,15)
InChIKeyZKBJVTAUHWMMBZ-UHFFFAOYSA-N
MW228.21 g/mol
LogP0.96
Rot. Bonds5

About 1-ethyl-1-(3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea

1-ethyl-1-(3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 115662988) has the molecular formula C8H15F3N2O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is 1-ethyl-1-(3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-ethyl-1-(3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID115662988
Molecular FormulaC8H15F3N2O2
Molecular Weight228.21 g/mol
Exact Mass228.11
IUPAC Name1-ethyl-1-(3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCCN(CCCO)C(=O)NCC(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-2-13(4-3-5-14)7(15)12-6-8(9,10)11/h14H,2-6H2,1H3,(H,12,15)
InChIKeyZKBJVTAUHWMMBZ-UHFFFAOYSA-N
XLogP0.96
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-ethyl-1-(3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea (CID 115662988) is 1-ethyl-1-(3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-ethyl-1-(3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-ethyl-1-(3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea is CCN(CCCO)C(=O)NCC(F)(F)F.
What is the InChIKey of 1-ethyl-1-(3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is ZKBJVTAUHWMMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2/c1-2-13(4-3-5-14)7(15)12-6-8(9,10)11/h14H,2-6H2,1H3,(H,12,15).
What are the key properties of 1-ethyl-1-(3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea?
1-ethyl-1-(3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 228.21 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 115662988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).