2,2,2-trifluoro-1-(6-hydroxy-2,3-dihydroindol-1-yl)ethanone

C10H8F3NO2 — CID 10657132

IUPAC2,2,2-trifluoro-1-(6-hydroxy-2,3-dihydroindol-1-yl)ethanone
SMILESO=C(N1CCc2ccc(O)cc21)C(F)(F)F
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)9(16)14-4-3-6-1-2-7(15)5-8(6)14/h1-2,5,15H,3-4H2
InChIKeyNCUJOJLKLDMLBO-UHFFFAOYSA-N
MW231.17 g/mol
LogP1.84
Rot. Bonds

About 2,2,2-trifluoro-1-(6-hydroxy-2,3-dihydroindol-1-yl)ethanone

2,2,2-trifluoro-1-(6-hydroxy-2,3-dihydroindol-1-yl)ethanone (PubChem CID 10657132) has the molecular formula C10H8F3NO2 and a molecular weight of 231.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(6-hydroxy-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(6-hydroxy-2,3-dihydroindol-1-yl)ethanone
PubChem CID10657132
Molecular FormulaC10H8F3NO2
Molecular Weight231.17 g/mol
Exact Mass231.05
IUPAC Name2,2,2-trifluoro-1-(6-hydroxy-2,3-dihydroindol-1-yl)ethanone
SMILESO=C(N1CCc2ccc(O)cc21)C(F)(F)F
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)9(16)14-4-3-6-1-2-7(15)5-8(6)14/h1-2,5,15H,3-4H2
InChIKeyNCUJOJLKLDMLBO-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

3-(1,3-dihydro-2H-isoindol-2-yl)phenol
CID 687968
6-hydroxy-2,3-dihydro-1H-indol-2-one
CID 2784139
Indolin-6-ol
CID 524507
2,3-dihydro-1H-indol-6-ol hydrochloride
CID 18769512
6-hydroxy-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-one
CID 21931777
7-Hydroxy-1,4-dimethyl-1,2-dihydroquinolin-2-one
CID 22151194
Tert-butyl 4-hydroxyindoline-1-carboxylate
CID 53415318
1-(5-hydroxy-2-methyl-2,3-dihydro-1H-indol-1-yl)ethan-1-one
CID 71312866
1,2,3,3-Tetramethyl-6-hydroxyindoline
CID 85865439
1-Methylindolin-6-ol
CID 10975655
7-Hydroxy-1-methyl-4-phenylquinolin-2(1h)-one
CID 20077462
3-(Diethylamino)-4-methylphenol
CID 20570319

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(6-hydroxy-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(6-hydroxy-2,3-dihydroindol-1-yl)ethanone (CID 10657132) is 2,2,2-trifluoro-1-(6-hydroxy-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(6-hydroxy-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(6-hydroxy-2,3-dihydroindol-1-yl)ethanone is O=C(N1CCc2ccc(O)cc21)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(6-hydroxy-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is NCUJOJLKLDMLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO2/c11-10(12,13)9(16)14-4-3-6-1-2-7(15)5-8(6)14/h1-2,5,15H,3-4H2.
What are the key properties of 2,2,2-trifluoro-1-(6-hydroxy-2,3-dihydroindol-1-yl)ethanone?
2,2,2-trifluoro-1-(6-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-(6-hydroxy-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 10657132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).