1-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone

C11H10F3NO — CID 73012338

IUPAC1-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C11H10F3NO/c1-7(16)15-5-4-8-6-9(11(12,13)14)2-3-10(8)15/h2-3,6H,4-5H2,1H3
InChIKeyFYUBCCLLRJETBQ-UHFFFAOYSA-N
MW229.20 g/mol
LogP2.61
Rot. Bonds

About 1-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone

1-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone (PubChem CID 73012338) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
PubChem CID73012338
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC Name1-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C11H10F3NO/c1-7(16)15-5-4-8-6-9(11(12,13)14)2-3-10(8)15/h2-3,6H,4-5H2,1H3
InChIKeyFYUBCCLLRJETBQ-UHFFFAOYSA-N
XLogP2.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-acetyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-carboxamide
CID 52533407
methane;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone
CID 159834618
(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 25359721
1-acetyl-N-ethyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-sulfonamide
CID 3242578
1-acetyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]-2,3-dihydroindole-5-carboxamide
CID 55803063
1-(5-sulfinato-2,3-dihydroindol-1-yl)ethanone;zinc
CID 145441295
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)piperazin-1-yl]ethanone
CID 82537881
1-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 97226753
(4-fluorophenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31839765
1-[5-[4-[3-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]sulfanyl-2,3-dihydroindol-1-yl]ethanone
CID 156725796
1-acetyl-5-(trifluoromethyl)-3H-indol-2-one
CID 58031721
[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 18272340

Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone (CID 73012338) is 1-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 1-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is FYUBCCLLRJETBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO/c1-7(16)15-5-4-8-6-9(11(12,13)14)2-3-10(8)15/h2-3,6H,4-5H2,1H3.
What are the key properties of 1-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone?
1-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 229.20 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 73012338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).