1-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]-3-(oxolan-2-ylmethyl)urea

C15H19F3N2O3 — CID 56824446

IUPAC1-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]-3-(oxolan-2-ylmethyl)urea
SMILESCc1c(NC(=O)NCC2CCCO2)cccc1OCC(F)(F)F
InChIInChI=1S/C15H19F3N2O3/c1-10-12(5-2-6-13(10)23-9-15(16,17)18)20-14(21)19-8-11-4-3-7-22-11/h2,5-6,11H,3-4,7-9H2,1H3,(H2,19,20,21)
InChIKeyLLQLREFRRMYAAT-UHFFFAOYSA-N
MW332.32 g/mol
LogP3.24
Rot. Bonds5

About 1-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]-3-(oxolan-2-ylmethyl)urea

1-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]-3-(oxolan-2-ylmethyl)urea (PubChem CID 56824446) has the molecular formula C15H19F3N2O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is 1-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]-3-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]-3-(oxolan-2-ylmethyl)urea
PubChem CID56824446
Molecular FormulaC15H19F3N2O3
Molecular Weight332.32 g/mol
Exact Mass332.13
IUPAC Name1-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]-3-(oxolan-2-ylmethyl)urea
SMILESCc1c(NC(=O)NCC2CCCO2)cccc1OCC(F)(F)F
InChIInChI=1S/C15H19F3N2O3/c1-10-12(5-2-6-13(10)23-9-15(16,17)18)20-14(21)19-8-11-4-3-7-22-11/h2,5-6,11H,3-4,7-9H2,1H3,(H2,19,20,21)
InChIKeyLLQLREFRRMYAAT-UHFFFAOYSA-N
XLogP3.24
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47195849
N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline
CID 82833696
2-amino-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]-2-(oxan-4-yl)acetamide
CID 120791678
1-(2-ethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 3764609
N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]morpholine-4-carboxamide
CID 56824373
1-(2-methoxy-3-pyridinyl)-3-(oxolan-2-ylmethyl)urea
CID 47042572
1-(2-methylsulfanylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 92967958
1-(oxolan-2-ylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 47032264
1-(2-iodophenyl)-3-(oxolan-2-ylmethyl)urea
CID 47193009
2-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]benzoic acid
CID 82810102
N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-2-carboxamide
CID 119315217
N-(3-cyclopentyloxy-2-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 91645589

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]-3-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]-3-(oxolan-2-ylmethyl)urea (CID 56824446) is 1-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]-3-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]-3-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]-3-(oxolan-2-ylmethyl)urea is Cc1c(NC(=O)NCC2CCCO2)cccc1OCC(F)(F)F.
What is the InChIKey of 1-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]-3-(oxolan-2-ylmethyl)urea?
The InChIKey is LLQLREFRRMYAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O3/c1-10-12(5-2-6-13(10)23-9-15(16,17)18)20-14(21)19-8-11-4-3-7-22-11/h2,5-6,11H,3-4,7-9H2,1H3,(H2,19,20,21).
What are the key properties of 1-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]-3-(oxolan-2-ylmethyl)urea?
1-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]-3-(oxolan-2-ylmethyl)urea has a molecular weight of 332.32 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]-3-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 56824446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).