[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]urea

C11H14F3N3O2 — CID 75505421

IUPAC[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]urea
SMILESCC(C)(COc1ncccc1C(F)(F)F)NC(N)=O
InChIInChI=1S/C11H14F3N3O2/c1-10(2,17-9(15)18)6-19-8-7(11(12,13)14)4-3-5-16-8/h3-5H,6H2,1-2H3,(H3,15,17,18)
InChIKeyHEVFSYNDLPYQQW-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.93
Rot. Bonds4

About [2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]urea

[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]urea (PubChem CID 75505421) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is [2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]urea.

Molecular Properties

Compound Name[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]urea
PubChem CID75505421
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]urea
SMILESCC(C)(COc1ncccc1C(F)(F)F)NC(N)=O
InChIInChI=1S/C11H14F3N3O2/c1-10(2,17-9(15)18)6-19-8-7(11(12,13)14)4-3-5-16-8/h3-5H,6H2,1-2H3,(H3,15,17,18)
InChIKeyHEVFSYNDLPYQQW-UHFFFAOYSA-N
XLogP1.93
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]urea?
The IUPAC name of [2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]urea (CID 75505421) is [2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]urea.
What is the SMILES notation for [2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]urea?
The canonical SMILES for [2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]urea is CC(C)(COc1ncccc1C(F)(F)F)NC(N)=O.
What is the InChIKey of [2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]urea?
The InChIKey is HEVFSYNDLPYQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-10(2,17-9(15)18)6-19-8-7(11(12,13)14)4-3-5-16-8/h3-5H,6H2,1-2H3,(H3,15,17,18).
What are the key properties of [2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]urea?
[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]urea has a molecular weight of 277.25 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]urea is sourced from PubChem (CID 75505421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).