2-propan-2-yloxy-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone

C11H12F3NO2 — CID 105117081

IUPAC2-propan-2-yloxy-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESCC(C)OCC(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H12F3NO2/c1-7(2)17-6-10(16)9-4-3-8(5-15-9)11(12,13)14/h3-5,7H,6H2,1-2H3
InChIKeyMZCGXJMCYIBXAC-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.71
Rot. Bonds4

About 2-propan-2-yloxy-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone

2-propan-2-yloxy-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone (PubChem CID 105117081) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 2-propan-2-yloxy-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name2-propan-2-yloxy-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone
PubChem CID105117081
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name2-propan-2-yloxy-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESCC(C)OCC(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H12F3NO2/c1-7(2)17-6-10(16)9-4-3-8(5-15-9)11(12,13)14/h3-5,7H,6H2,1-2H3
InChIKeyMZCGXJMCYIBXAC-UHFFFAOYSA-N
XLogP2.71
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]propan-1-one
CID 105076540
4-methoxy-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-one
CID 105135540
4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-one
CID 105129813
ethyl 2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoate
CID 115593424
2-[propan-2-yl-[5-(trifluoromethyl)pyridine-2-carbonyl]amino]acetic acid
CID 115596384
2-propan-2-yloxy-N-[4-(trifluoromethyl)phenyl]acetamide
CID 112686648
N-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 154762971
N-(2-methoxyethoxy)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 113249806
N-(1-chloro-4-methylpentan-3-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 106354916
N-but-3-yn-2-yl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114389784
2-thiophen-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone
CID 105088699
N-(2-bromo-4-methylpentyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 107157596

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone?
The IUPAC name of 2-propan-2-yloxy-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone (CID 105117081) is 2-propan-2-yloxy-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 2-propan-2-yloxy-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone?
The canonical SMILES for 2-propan-2-yloxy-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone is CC(C)OCC(=O)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-propan-2-yloxy-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone?
The InChIKey is MZCGXJMCYIBXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-7(2)17-6-10(16)9-4-3-8(5-15-9)11(12,13)14/h3-5,7H,6H2,1-2H3.
What are the key properties of 2-propan-2-yloxy-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone?
2-propan-2-yloxy-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone has a molecular weight of 247.22 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 105117081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).