2,2,2-trifluoro-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone

C11H10F3NO — CID 21224911

IUPAC2,2,2-trifluoro-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC1Cc2ccccc2N1C(=O)C(F)(F)F
InChIInChI=1S/C11H10F3NO/c1-7-6-8-4-2-3-5-9(8)15(7)10(16)11(12,13)14/h2-5,7H,6H2,1H3
InChIKeyJLNVVQVHBBPBSU-UHFFFAOYSA-N
MW229.20 g/mol
LogP2.53
Rot. Bonds

About 2,2,2-trifluoro-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone

2,2,2-trifluoro-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone (PubChem CID 21224911) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
PubChem CID21224911
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC Name2,2,2-trifluoro-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC1Cc2ccccc2N1C(=O)C(F)(F)F
InChIInChI=1S/C11H10F3NO/c1-7-6-8-4-2-3-5-9(8)15(7)10(16)11(12,13)14/h2-5,7H,6H2,1H3
InChIKeyJLNVVQVHBBPBSU-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone (CID 21224911) is 2,2,2-trifluoro-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone is CC1Cc2ccccc2N1C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is JLNVVQVHBBPBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO/c1-7-6-8-4-2-3-5-9(8)15(7)10(16)11(12,13)14/h2-5,7H,6H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
2,2,2-trifluoro-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 229.20 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 21224911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).