1-(3-bromo-5-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol

C15H10BrF6NO — CID 162383475

IUPAC1-(3-bromo-5-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol
SMILESOC1c2c(C(F)(F)F)cn(-c3cc(F)cc(Br)c3)c2CCC1(F)F
InChIInChI=1S/C15H10BrF6NO/c16-7-3-8(17)5-9(4-7)23-6-10(15(20,21)22)12-11(23)1-2-14(18,19)13(12)24/h3-6,13,24H,1-2H2
InChIKeyATFMLOOMNFNRJX-UHFFFAOYSA-N
MW414.14 g/mol
LogP5.01
Rot. Bonds1

About 1-(3-bromo-5-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol

1-(3-bromo-5-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol (PubChem CID 162383475) has the molecular formula C15H10BrF6NO and a molecular weight of 414.14 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol
PubChem CID162383475
Molecular FormulaC15H10BrF6NO
Molecular Weight414.14 g/mol
Exact Mass412.98
IUPAC Name1-(3-bromo-5-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol
SMILESOC1c2c(C(F)(F)F)cn(-c3cc(F)cc(Br)c3)c2CCC1(F)F
InChIInChI=1S/C15H10BrF6NO/c16-7-3-8(17)5-9(4-7)23-6-10(15(20,21)22)12-11(23)1-2-14(18,19)13(12)24/h3-6,13,24H,1-2H2
InChIKeyATFMLOOMNFNRJX-UHFFFAOYSA-N
XLogP5.01
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.14
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromo-5-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol with MolForge

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Related Compounds

[1-(4-bromobenzyl)-1H-indol-3-yl]methanol
CID 15881523
[1-[(3-Bromophenyl)methyl]indol-3-yl]methanol
CID 15881522
5,6-Difluoro-1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol
CID 162383497
US20250042853, Example 41
CID 168252498
US20250042853, Example 107
CID 168252503
US20250042853, Example 46
CID 168252509
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
[8-Bromo-2-(4-fluorophenyl)indolizin-3-yl]methanol
CID 91013277
2-(5-Bromopyridin-2-yl)-1-(2,4-difluorophenyl)-2,2-difluoroethanol
CID 123365636

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol (CID 162383475) is 1-(3-bromo-5-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol is OC1c2c(C(F)(F)F)cn(-c3cc(F)cc(Br)c3)c2CCC1(F)F.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol?
The InChIKey is ATFMLOOMNFNRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF6NO/c16-7-3-8(17)5-9(4-7)23-6-10(15(20,21)22)12-11(23)1-2-14(18,19)13(12)24/h3-6,13,24H,1-2H2.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol?
1-(3-bromo-5-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol has a molecular weight of 414.14 g/mol, XLogP of 5.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol is sourced from PubChem (CID 162383475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).