(4S)-2-chloro-1-(3-chloro-5-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol

C15H9Cl2F6NO — CID 162383356

IUPAC(4S)-2-chloro-1-(3-chloro-5-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol
SMILESO[C@H]1c2c(C(F)(F)F)c(Cl)n(-c3cc(F)cc(Cl)c3)c2CCC1(F)F
InChIInChI=1S/C15H9Cl2F6NO/c16-6-3-7(18)5-8(4-6)24-9-1-2-14(19,20)12(25)10(9)11(13(24)17)15(21,22)23/h3-5,12,25H,1-2H2/t12-/m0/s1
InChIKeyZZCHORMZYBEKTO-LBPRGKRZSA-N
MW404.14 g/mol
LogP5.56
Rot. Bonds1

About (4S)-2-chloro-1-(3-chloro-5-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol

(4S)-2-chloro-1-(3-chloro-5-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol (PubChem CID 162383356) has the molecular formula C15H9Cl2F6NO and a molecular weight of 404.14 g/mol. Its IUPAC name is (4S)-2-chloro-1-(3-chloro-5-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol.

Molecular Properties

Compound Name(4S)-2-chloro-1-(3-chloro-5-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol
PubChem CID162383356
Molecular FormulaC15H9Cl2F6NO
Molecular Weight404.14 g/mol
Exact Mass403.00
IUPAC Name(4S)-2-chloro-1-(3-chloro-5-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol
SMILESO[C@H]1c2c(C(F)(F)F)c(Cl)n(-c3cc(F)cc(Cl)c3)c2CCC1(F)F
InChIInChI=1S/C15H9Cl2F6NO/c16-6-3-7(18)5-8(4-6)24-9-1-2-14(19,20)12(25)10(9)11(13(24)17)15(21,22)23/h3-5,12,25H,1-2H2/t12-/m0/s1
InChIKeyZZCHORMZYBEKTO-LBPRGKRZSA-N
XLogP5.56
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.14
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

US20250042853, Example 72
CID 168252524
1-[6-Chloro-1-(3-fluorophenyl)-1H-indol-2-yl]ethanol
CID 58565353
[6-Chloro-1-(3-fluorophenyl)-1H-indol-2-yl]methanol
CID 58565373
1-(3-chloro-5-fluorophenyl)-3-dimethoxyphosphanyl-5,5-difluoro-6,7-dihydro-4H-indol-4-ol
CID 162383328
1-[(3-chloro-5-fluorophenyl)methyl]-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol
CID 162383334
1-(3-Chloro-5-fluorophenyl)-5,6-difluoro-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol
CID 162383338
(4S)-1-(3-chloro-5-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol
CID 162383363
1-(3-chloro-4-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol
CID 162383368
3-(3-Chloro-5-fluorophenyl)-7-fluoro-1-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-8-ol
CID 162383370
1-(3,5-Difluorophenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol
CID 162383373
1-(3,4-difluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol
CID 162383374
1-(3-chloro-5-fluorophenyl)-3,5,5-trifluoro-6,7-dihydro-4H-indol-4-ol
CID 162383378

Frequently Asked Questions

What is the IUPAC name of (4S)-2-chloro-1-(3-chloro-5-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol?
The IUPAC name of (4S)-2-chloro-1-(3-chloro-5-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol (CID 162383356) is (4S)-2-chloro-1-(3-chloro-5-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol.
What is the SMILES notation for (4S)-2-chloro-1-(3-chloro-5-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol?
The canonical SMILES for (4S)-2-chloro-1-(3-chloro-5-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol is O[C@H]1c2c(C(F)(F)F)c(Cl)n(-c3cc(F)cc(Cl)c3)c2CCC1(F)F.
What is the InChIKey of (4S)-2-chloro-1-(3-chloro-5-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol?
The InChIKey is ZZCHORMZYBEKTO-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H9Cl2F6NO/c16-6-3-7(18)5-8(4-6)24-9-1-2-14(19,20)12(25)10(9)11(13(24)17)15(21,22)23/h3-5,12,25H,1-2H2/t12-/m0/s1.
What are the key properties of (4S)-2-chloro-1-(3-chloro-5-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol?
(4S)-2-chloro-1-(3-chloro-5-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol has a molecular weight of 404.14 g/mol, XLogP of 5.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-chloro-1-(3-chloro-5-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol is sourced from PubChem (CID 162383356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).