2,2,2-trifluoro-1-(4-fluoro-6-methyl-1H-indol-3-yl)ethanone

C11H7F4NO — CID 118654571

IUPAC2,2,2-trifluoro-1-(4-fluoro-6-methyl-1H-indol-3-yl)ethanone
SMILESCc1cc(F)c2c(C(=O)C(F)(F)F)c[nH]c2c1
InChIInChI=1S/C11H7F4NO/c1-5-2-7(12)9-6(4-16-8(9)3-5)10(17)11(13,14)15/h2-4,16H,1H3
InChIKeyRYUSNFUQVFJSNT-UHFFFAOYSA-N
MW245.17 g/mol
LogP3.36
Rot. Bonds1

About 2,2,2-trifluoro-1-(4-fluoro-6-methyl-1H-indol-3-yl)ethanone

2,2,2-trifluoro-1-(4-fluoro-6-methyl-1H-indol-3-yl)ethanone (PubChem CID 118654571) has the molecular formula C11H7F4NO and a molecular weight of 245.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-fluoro-6-methyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-fluoro-6-methyl-1H-indol-3-yl)ethanone
PubChem CID118654571
Molecular FormulaC11H7F4NO
Molecular Weight245.17 g/mol
Exact Mass245.05
IUPAC Name2,2,2-trifluoro-1-(4-fluoro-6-methyl-1H-indol-3-yl)ethanone
SMILESCc1cc(F)c2c(C(=O)C(F)(F)F)c[nH]c2c1
InChIInChI=1S/C11H7F4NO/c1-5-2-7(12)9-6(4-16-8(9)3-5)10(17)11(13,14)15/h2-4,16H,1H3
InChIKeyRYUSNFUQVFJSNT-UHFFFAOYSA-N
XLogP3.36
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.17
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanone
CID 62961335
1-(4-chloro-1H-indol-3-yl)-2,2,2-trifluoroethanone;ethane
CID 145106752
N,4,6-trimethyl-1H-indole-3-carboxamide
CID 118475596
ethane;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone
CID 91288381
2,2,2-trifluoro-1-(6-methoxy-1H-indol-3-yl)ethanone
CID 22497238
methyl 2-(4,6-dimethyl-1H-indol-3-yl)-2-oxoacetate
CID 84740886
7-fluoro-5-methyl-1H-indole-3-carboxylic acid
CID 130048529
1-(3,5-dimethylphenyl)-2,2,2-trifluoroethanone
CID 2758667
1-(4-fluoro-1H-indol-3-yl)-2-methyl-2-phenylpropan-1-one
CID 82781940
methyl 5,7-difluoro-4-oxo-1H-quinoline-3-carboxylate
CID 102614566
2,2,2-trifluoro-1-[7-fluoro-5-methyl-2-(trifluoromethyl)-1H-indol-3-yl]ethanone
CID 130395850
5,7-difluoro-N-(4-methyl-2-pyridinyl)-4-oxo-1H-quinoline-3-carboxamide
CID 39850308

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(4-fluoro-6-methyl-1H-indol-3-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(4-fluoro-6-methyl-1H-indol-3-yl)ethanone (CID 118654571) is 2,2,2-trifluoro-1-(4-fluoro-6-methyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-fluoro-6-methyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(4-fluoro-6-methyl-1H-indol-3-yl)ethanone is Cc1cc(F)c2c(C(=O)C(F)(F)F)c[nH]c2c1.
What is the InChIKey of 2,2,2-trifluoro-1-(4-fluoro-6-methyl-1H-indol-3-yl)ethanone?
The InChIKey is RYUSNFUQVFJSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F4NO/c1-5-2-7(12)9-6(4-16-8(9)3-5)10(17)11(13,14)15/h2-4,16H,1H3.
What are the key properties of 2,2,2-trifluoro-1-(4-fluoro-6-methyl-1H-indol-3-yl)ethanone?
2,2,2-trifluoro-1-(4-fluoro-6-methyl-1H-indol-3-yl)ethanone has a molecular weight of 245.17 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(4-fluoro-6-methyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 118654571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).