1-(3-chloro-5-fluorophenyl)-5-fluoro-2-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol

C16H13ClF5NO — CID 162383446

IUPAC1-(3-chloro-5-fluorophenyl)-5-fluoro-2-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol
SMILESCc1c(C(F)(F)F)c2c(n1-c1cc(F)cc(Cl)c1)CCC(F)C2O
InChIInChI=1S/C16H13ClF5NO/c1-7-14(16(20,21)22)13-12(3-2-11(19)15(13)24)23(7)10-5-8(17)4-9(18)6-10/h4-6,11,15,24H,2-3H2,1H3
InChIKeyXVESZDHMFKPNNG-UHFFFAOYSA-N
MW365.73 g/mol
LogP4.91
Rot. Bonds1

About 1-(3-chloro-5-fluorophenyl)-5-fluoro-2-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol

1-(3-chloro-5-fluorophenyl)-5-fluoro-2-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol (PubChem CID 162383446) has the molecular formula C16H13ClF5NO and a molecular weight of 365.73 g/mol. Its IUPAC name is 1-(3-chloro-5-fluorophenyl)-5-fluoro-2-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol.

Molecular Properties

Compound Name1-(3-chloro-5-fluorophenyl)-5-fluoro-2-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol
PubChem CID162383446
Molecular FormulaC16H13ClF5NO
Molecular Weight365.73 g/mol
Exact Mass365.06
IUPAC Name1-(3-chloro-5-fluorophenyl)-5-fluoro-2-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol
SMILESCc1c(C(F)(F)F)c2c(n1-c1cc(F)cc(Cl)c1)CCC(F)C2O
InChIInChI=1S/C16H13ClF5NO/c1-7-14(16(20,21)22)13-12(3-2-11(19)15(13)24)23(7)10-5-8(17)4-9(18)6-10/h4-6,11,15,24H,2-3H2,1H3
InChIKeyXVESZDHMFKPNNG-UHFFFAOYSA-N
XLogP4.91
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.73
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-chloro-5-fluorophenyl)-5-fluoro-2-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol with MolForge

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Related Compounds

US20250042853, Example 72
CID 168252524
(4-Chlorophenyl)-[2-(difluoromethyl)-4-(4-fluorophenyl)-5-methyl-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 21352649
1-[6-Chloro-1-(3-fluorophenyl)-1H-indol-2-yl]ethanol
CID 58565353
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
(4S)-1-[3-(difluoromethyl)-4-fluorophenyl]-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol
CID 162383335
1-(3-Chloro-5-fluorophenyl)-5,6-difluoro-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol
CID 162383338
2-chloro-5-[5,5-difluoro-4-hydroxy-3-(trifluoromethyl)-6,7-dihydro-4H-indol-1-yl]benzonitrile
CID 162383352
(4S)-2-chloro-1-(3-chloro-5-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol
CID 162383356
(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

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-fluorophenyl)-5-fluoro-2-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol?
The IUPAC name of 1-(3-chloro-5-fluorophenyl)-5-fluoro-2-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol (CID 162383446) is 1-(3-chloro-5-fluorophenyl)-5-fluoro-2-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol.
What is the SMILES notation for 1-(3-chloro-5-fluorophenyl)-5-fluoro-2-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol?
The canonical SMILES for 1-(3-chloro-5-fluorophenyl)-5-fluoro-2-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol is Cc1c(C(F)(F)F)c2c(n1-c1cc(F)cc(Cl)c1)CCC(F)C2O.
What is the InChIKey of 1-(3-chloro-5-fluorophenyl)-5-fluoro-2-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol?
The InChIKey is XVESZDHMFKPNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF5NO/c1-7-14(16(20,21)22)13-12(3-2-11(19)15(13)24)23(7)10-5-8(17)4-9(18)6-10/h4-6,11,15,24H,2-3H2,1H3.
What are the key properties of 1-(3-chloro-5-fluorophenyl)-5-fluoro-2-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol?
1-(3-chloro-5-fluorophenyl)-5-fluoro-2-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol has a molecular weight of 365.73 g/mol, XLogP of 4.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-fluorophenyl)-5-fluoro-2-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol is sourced from PubChem (CID 162383446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).