1-[6-ethyl-5-methyl-2-(trifluoromethyl)-3-pyridinyl]-2,2,2-trifluoroethanone

C11H9F6NO — CID 100915221

IUPAC1-[6-ethyl-5-methyl-2-(trifluoromethyl)-3-pyridinyl]-2,2,2-trifluoroethanone
SMILESCCc1nc(C(F)(F)F)c(C(=O)C(F)(F)F)cc1C
InChIInChI=1S/C11H9F6NO/c1-3-7-5(2)4-6(9(19)11(15,16)17)8(18-7)10(12,13)14/h4H,3H2,1-2H3
InChIKeyXTBZEKYEBDLFPS-UHFFFAOYSA-N
MW285.19 g/mol
LogP3.72
Rot. Bonds2

About 1-[6-ethyl-5-methyl-2-(trifluoromethyl)-3-pyridinyl]-2,2,2-trifluoroethanone

1-[6-ethyl-5-methyl-2-(trifluoromethyl)-3-pyridinyl]-2,2,2-trifluoroethanone (PubChem CID 100915221) has the molecular formula C11H9F6NO and a molecular weight of 285.19 g/mol. Its IUPAC name is 1-[6-ethyl-5-methyl-2-(trifluoromethyl)-3-pyridinyl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[6-ethyl-5-methyl-2-(trifluoromethyl)-3-pyridinyl]-2,2,2-trifluoroethanone
PubChem CID100915221
Molecular FormulaC11H9F6NO
Molecular Weight285.19 g/mol
Exact Mass285.06
IUPAC Name1-[6-ethyl-5-methyl-2-(trifluoromethyl)-3-pyridinyl]-2,2,2-trifluoroethanone
SMILESCCc1nc(C(F)(F)F)c(C(=O)C(F)(F)F)cc1C
InChIInChI=1S/C11H9F6NO/c1-3-7-5(2)4-6(9(19)11(15,16)17)8(18-7)10(12,13)14/h4H,3H2,1-2H3
InChIKeyXTBZEKYEBDLFPS-UHFFFAOYSA-N
XLogP3.72
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[6-ethyl-5-methyl-2-(trifluoromethyl)-3-pyridinyl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[6-ethyl-5-methyl-2-(trifluoromethyl)-3-pyridinyl]-2,2,2-trifluoroethanone (CID 100915221) is 1-[6-ethyl-5-methyl-2-(trifluoromethyl)-3-pyridinyl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[6-ethyl-5-methyl-2-(trifluoromethyl)-3-pyridinyl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[6-ethyl-5-methyl-2-(trifluoromethyl)-3-pyridinyl]-2,2,2-trifluoroethanone is CCc1nc(C(F)(F)F)c(C(=O)C(F)(F)F)cc1C.
What is the InChIKey of 1-[6-ethyl-5-methyl-2-(trifluoromethyl)-3-pyridinyl]-2,2,2-trifluoroethanone?
The InChIKey is XTBZEKYEBDLFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F6NO/c1-3-7-5(2)4-6(9(19)11(15,16)17)8(18-7)10(12,13)14/h4H,3H2,1-2H3.
What are the key properties of 1-[6-ethyl-5-methyl-2-(trifluoromethyl)-3-pyridinyl]-2,2,2-trifluoroethanone?
1-[6-ethyl-5-methyl-2-(trifluoromethyl)-3-pyridinyl]-2,2,2-trifluoroethanone has a molecular weight of 285.19 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-ethyl-5-methyl-2-(trifluoromethyl)-3-pyridinyl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 100915221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).