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

C9H17F3N2O2 — CID 111778180

IUPAC1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCCN(CC(C)(C)O)C(=O)NCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-4-14(6-8(2,3)16)7(15)13-5-9(10,11)12/h16H,4-6H2,1-3H3,(H,13,15)
InChIKeyFCZHDUSTNRAWRI-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.35
Rot. Bonds4

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

1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 111778180) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID111778180
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC Name1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCCN(CC(C)(C)O)C(=O)NCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-4-14(6-8(2,3)16)7(15)13-5-9(10,11)12/h16H,4-6H2,1-3H3,(H,13,15)
InChIKeyFCZHDUSTNRAWRI-UHFFFAOYSA-N
XLogP1.35
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethyl)urea (CID 111778180) is 1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethyl)urea is CCN(CC(C)(C)O)C(=O)NCC(F)(F)F.
What is the InChIKey of 1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is FCZHDUSTNRAWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-4-14(6-8(2,3)16)7(15)13-5-9(10,11)12/h16H,4-6H2,1-3H3,(H,13,15).
What are the key properties of 1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethyl)urea?
1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 242.24 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 111778180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).