1-[2-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-indol-5-yl]ethanone

C13H10F3NO — CID 132942638

IUPAC1-[2-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-indol-5-yl]ethanone
SMILESCC(=O)c1ccc2[nH]c(/C=C/C(F)(F)F)cc2c1
InChIInChI=1S/C13H10F3NO/c1-8(18)9-2-3-12-10(6-9)7-11(17-12)4-5-13(14,15)16/h2-7,17H,1H3/b5-4+
InChIKeyYNGPSKHKHWGYGT-SNAWJCMRSA-N
MW253.22 g/mol
LogP3.95
Rot. Bonds2

About 1-[2-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-indol-5-yl]ethanone

1-[2-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-indol-5-yl]ethanone (PubChem CID 132942638) has the molecular formula C13H10F3NO and a molecular weight of 253.22 g/mol. Its IUPAC name is 1-[2-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-indol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-indol-5-yl]ethanone
PubChem CID132942638
Molecular FormulaC13H10F3NO
Molecular Weight253.22 g/mol
Exact Mass253.07
IUPAC Name1-[2-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-indol-5-yl]ethanone
SMILESCC(=O)c1ccc2[nH]c(/C=C/C(F)(F)F)cc2c1
InChIInChI=1S/C13H10F3NO/c1-8(18)9-2-3-12-10(6-9)7-11(17-12)4-5-13(14,15)16/h2-7,17H,1H3/b5-4+
InChIKeyYNGPSKHKHWGYGT-SNAWJCMRSA-N
XLogP3.95
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-3-(5-acetamido-1H-indol-2-yl)prop-2-enoic acid
CID 10752794
1-(2-phenyl-1H-indol-5-yl)ethanone
CID 44542857
1-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]ethanone
CID 83450578
5-acetyl-N-[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]-1H-indole-2-carboxamide
CID 134285576
4-(dimethylamino)-N-[2-[(E)-3-oxoprop-1-enyl]-1H-indol-5-yl]benzamide
CID 155366163
tert-butyl formate;1-(1H-indol-5-yl)ethanone
CID 174513916
(Z)-3-(5-methyl-1H-indol-2-yl)prop-2-enamide
CID 170878076
1-(7-acetylanthracen-2-yl)ethanone
CID 139364083
5-[(4-acetylbenzoyl)amino]-1H-indole-2-carboxylic acid
CID 59365027
N-(1H-indol-5-yl)-4-(3,3,3-trifluoroprop-1-enyl)benzamide
CID 72581666
(E)-N-hydroxy-3-[5-[1-(3-methoxy-4,5-dimethylphenyl)ethenyl]-1H-indol-2-yl]prop-2-enamide
CID 161251929
methyl 2-methoxy-5-(5-methoxy-1H-indol-2-yl)penta-2,4-dienoate
CID 54063713

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-indol-5-yl]ethanone?
The IUPAC name of 1-[2-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-indol-5-yl]ethanone (CID 132942638) is 1-[2-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-indol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-indol-5-yl]ethanone?
The canonical SMILES for 1-[2-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-indol-5-yl]ethanone is CC(=O)c1ccc2[nH]c(/C=C/C(F)(F)F)cc2c1.
What is the InChIKey of 1-[2-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-indol-5-yl]ethanone?
The InChIKey is YNGPSKHKHWGYGT-SNAWJCMRSA-N. The full InChI is InChI=1S/C13H10F3NO/c1-8(18)9-2-3-12-10(6-9)7-11(17-12)4-5-13(14,15)16/h2-7,17H,1H3/b5-4+.
What are the key properties of 1-[2-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-indol-5-yl]ethanone?
1-[2-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-indol-5-yl]ethanone has a molecular weight of 253.22 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-indol-5-yl]ethanone is sourced from PubChem (CID 132942638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).