1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea

C8H15F3N2O2 — CID 111519649

IUPAC1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea
SMILESCN(CC(C)(C)O)C(=O)NCC(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-7(2,15)5-13(3)6(14)12-4-8(9,10)11/h15H,4-5H2,1-3H3,(H,12,14)
InChIKeyWOEOXDFJXOTFQM-UHFFFAOYSA-N
MW228.21 g/mol
LogP0.96
Rot. Bonds3

About 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea

1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea (PubChem CID 111519649) has the molecular formula C8H15F3N2O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea
PubChem CID111519649
Molecular FormulaC8H15F3N2O2
Molecular Weight228.21 g/mol
Exact Mass228.11
IUPAC Name1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea
SMILESCN(CC(C)(C)O)C(=O)NCC(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-7(2,15)5-13(3)6(14)12-4-8(9,10)11/h15H,4-5H2,1-3H3,(H,12,14)
InChIKeyWOEOXDFJXOTFQM-UHFFFAOYSA-N
XLogP0.96
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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-(2-hydroxy-2-methylpropyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea (CID 111519649) is 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea is CN(CC(C)(C)O)C(=O)NCC(F)(F)F.
What is the InChIKey of 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is WOEOXDFJXOTFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2/c1-7(2,15)5-13(3)6(14)12-4-8(9,10)11/h15H,4-5H2,1-3H3,(H,12,14).
What are the key properties of 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea?
1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 228.21 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 111519649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).