1-[4-bromo-3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindol-4-ol

C15H13BrF3NO — CID 64853598

IUPAC1-[4-bromo-3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindol-4-ol
SMILESOC1CCCc2c1ccn2-c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C15H13BrF3NO/c16-12-5-4-9(8-11(12)15(17,18)19)20-7-6-10-13(20)2-1-3-14(10)21/h4-8,14,21H,1-3H2
InChIKeyNCGRRRLLHUYVFW-UHFFFAOYSA-N
MW360.17 g/mol
LogP4.63
Rot. Bonds1

About 1-[4-bromo-3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindol-4-ol

1-[4-bromo-3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindol-4-ol (PubChem CID 64853598) has the molecular formula C15H13BrF3NO and a molecular weight of 360.17 g/mol. Its IUPAC name is 1-[4-bromo-3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindol-4-ol.

Molecular Properties

Compound Name1-[4-bromo-3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindol-4-ol
PubChem CID64853598
Molecular FormulaC15H13BrF3NO
Molecular Weight360.17 g/mol
Exact Mass359.01
IUPAC Name1-[4-bromo-3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindol-4-ol
SMILESOC1CCCc2c1ccn2-c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C15H13BrF3NO/c16-12-5-4-9(8-11(12)15(17,18)19)20-7-6-10-13(20)2-1-3-14(10)21/h4-8,14,21H,1-3H2
InChIKeyNCGRRRLLHUYVFW-UHFFFAOYSA-N
XLogP4.63
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.17
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-bromo-3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindol-4-ol with MolForge

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Related Compounds

US20250042853, Example 49
CID 168252522
US20250042853, Example 72
CID 168252524
1-(3,5-Difluorophenyl)-4,5,6,7-tetrahydroindol-4-ol
CID 61972809
1-(3,4,5-Trifluorophenyl)-4,5,6,7-tetrahydroindol-4-ol
CID 62813278
1-[4-Bromo-1-[2-(trifluoromethoxy)ethyl]indol-3-yl]-2,2,2-trifluoroethanol
CID 123796879
[4-Bromo-1-(trifluoromethyl)indol-6-yl]methanol
CID 138755830
2-fluoro-5-[(4S)-5-fluoro-4-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-1-yl]benzonitrile
CID 162383326
(4S)-1-[3-(difluoromethyl)-4-fluorophenyl]-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol
CID 162383335
1-(3,5-difluorophenyl)-5,5-difluoro-6,7-dihydro-4H-indol-4-ol
CID 162383366
5,5-difluoro-1-pyridin-3-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol
CID 162383367
3-Fluoro-5-[4-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-1-yl]benzonitrile
CID 162383371
1-(3,5-Difluorophenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol
CID 162383373

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindol-4-ol?
The IUPAC name of 1-[4-bromo-3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindol-4-ol (CID 64853598) is 1-[4-bromo-3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindol-4-ol.
What is the SMILES notation for 1-[4-bromo-3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindol-4-ol?
The canonical SMILES for 1-[4-bromo-3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindol-4-ol is OC1CCCc2c1ccn2-c1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-bromo-3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindol-4-ol?
The InChIKey is NCGRRRLLHUYVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF3NO/c16-12-5-4-9(8-11(12)15(17,18)19)20-7-6-10-13(20)2-1-3-14(10)21/h4-8,14,21H,1-3H2.
What are the key properties of 1-[4-bromo-3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindol-4-ol?
1-[4-bromo-3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindol-4-ol has a molecular weight of 360.17 g/mol, XLogP of 4.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindol-4-ol is sourced from PubChem (CID 64853598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).