2,2,2-trifluoro-1-(4-hydroxy-2,3-dihydroindol-1-yl)ethanone

C10H8F3NO2 — CID 87126610

IUPAC2,2,2-trifluoro-1-(4-hydroxy-2,3-dihydroindol-1-yl)ethanone
SMILESO=C(N1CCc2c(O)cccc21)C(F)(F)F
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)9(16)14-5-4-6-7(14)2-1-3-8(6)15/h1-3,15H,4-5H2
InChIKeyOMWODRZSMVMBMJ-UHFFFAOYSA-N
MW231.17 g/mol
LogP1.84
Rot. Bonds

About 2,2,2-trifluoro-1-(4-hydroxy-2,3-dihydroindol-1-yl)ethanone

2,2,2-trifluoro-1-(4-hydroxy-2,3-dihydroindol-1-yl)ethanone (PubChem CID 87126610) has the molecular formula C10H8F3NO2 and a molecular weight of 231.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-hydroxy-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-hydroxy-2,3-dihydroindol-1-yl)ethanone
PubChem CID87126610
Molecular FormulaC10H8F3NO2
Molecular Weight231.17 g/mol
Exact Mass231.05
IUPAC Name2,2,2-trifluoro-1-(4-hydroxy-2,3-dihydroindol-1-yl)ethanone
SMILESO=C(N1CCc2c(O)cccc21)C(F)(F)F
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)9(16)14-5-4-6-7(14)2-1-3-8(6)15/h1-3,15H,4-5H2
InChIKeyOMWODRZSMVMBMJ-UHFFFAOYSA-N
XLogP1.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-4-carbonitrile
CID 119008445
1-(4-hydroxy-2,3-dihydroindol-1-yl)ethanone
CID 19598465
1-(4-hydroxy-2,3-dihydroindol-1-yl)prop-2-en-1-one
CID 123314789
2,2,2-trifluoro-1-(4-oct-1-ynyl-2,3-dihydroindol-1-yl)ethanone
CID 86661816
3-(2,2,2-trifluoroacetyl)-1,2-dihydrobenzo[e]indole-8-sulfonamide
CID 86620262
1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 60759910
2,2,2-trifluoro-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
CID 62491643
1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-5-sulfonamide
CID 57047254
[1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-4-yl] sulfamate
CID 138522146
1-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-5-ol
CID 90909882
1-(6-chloro-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2,2,2-trifluoroethanone
CID 161249752
4-chloro-1-[1-(2,2,2-trifluoroacetyl)-2,3-dihydroindol-5-yl]butan-1-one
CID 95412014

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(4-hydroxy-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(4-hydroxy-2,3-dihydroindol-1-yl)ethanone (CID 87126610) is 2,2,2-trifluoro-1-(4-hydroxy-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-hydroxy-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(4-hydroxy-2,3-dihydroindol-1-yl)ethanone is O=C(N1CCc2c(O)cccc21)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(4-hydroxy-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is OMWODRZSMVMBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO2/c11-10(12,13)9(16)14-5-4-6-7(14)2-1-3-8(6)15/h1-3,15H,4-5H2.
What are the key properties of 2,2,2-trifluoro-1-(4-hydroxy-2,3-dihydroindol-1-yl)ethanone?
2,2,2-trifluoro-1-(4-hydroxy-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 231.17 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(4-hydroxy-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 87126610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).