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

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

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Related Compounds

2-tert-butyl-6-ethyl-5-methylpyridine-3-carboxylic acid
CID 116533822
6-ethyl-2,5-dimethylpyridine-3-carboxylic acid
CID 112692937
2,2,2-trifluoro-1-[2-methyl-4-(trifluoromethyl)pyrido[3,2-h]quinazolin-6-yl]ethanone
CID 100951468
methyl 2-chloro-5-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
CID 169249189
ethyl 2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
CID 2782648
ethyl 7-(methoxymethyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
CID 66601804
ethyl 7-methylsulfanyl-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
CID 66601976
ethyl 2-cyclopropyl-6-ethyl-5-methylpyridine-3-carboxylate
CID 116533542
2-chloro-N-ethyl-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 87369005
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2,2,2-trifluoroethanone
CID 100594421
2,2,2-trifluoro-1-(4-methoxy-2,3,5-trimethylphenyl)ethanone
CID 82295022
fluoro 7-methyl-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
CID 68640231

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).