1-(3-chloro-5-fluorophenyl)-3,5,5-trifluoro-6,7-dihydro-4H-indol-4-ol

C14H10ClF4NO — CID 162383378

IUPAC1-(3-chloro-5-fluorophenyl)-3,5,5-trifluoro-6,7-dihydro-4H-indol-4-ol
SMILESOC1c2c(F)cn(-c3cc(F)cc(Cl)c3)c2CCC1(F)F
InChIInChI=1S/C14H10ClF4NO/c15-7-3-8(16)5-9(4-7)20-6-10(17)12-11(20)1-2-14(18,19)13(12)21/h3-6,13,21H,1-2H2
InChIKeyNGSGKLGYFIDMQK-UHFFFAOYSA-N
MW319.69 g/mol
LogP4.02
Rot. Bonds1

About 1-(3-chloro-5-fluorophenyl)-3,5,5-trifluoro-6,7-dihydro-4H-indol-4-ol

1-(3-chloro-5-fluorophenyl)-3,5,5-trifluoro-6,7-dihydro-4H-indol-4-ol (PubChem CID 162383378) has the molecular formula C14H10ClF4NO and a molecular weight of 319.69 g/mol. Its IUPAC name is 1-(3-chloro-5-fluorophenyl)-3,5,5-trifluoro-6,7-dihydro-4H-indol-4-ol.

Molecular Properties

Compound Name1-(3-chloro-5-fluorophenyl)-3,5,5-trifluoro-6,7-dihydro-4H-indol-4-ol
PubChem CID162383378
Molecular FormulaC14H10ClF4NO
Molecular Weight319.69 g/mol
Exact Mass319.04
IUPAC Name1-(3-chloro-5-fluorophenyl)-3,5,5-trifluoro-6,7-dihydro-4H-indol-4-ol
SMILESOC1c2c(F)cn(-c3cc(F)cc(Cl)c3)c2CCC1(F)F
InChIInChI=1S/C14H10ClF4NO/c15-7-3-8(16)5-9(4-7)20-6-10(17)12-11(20)1-2-14(18,19)13(12)21/h3-6,13,21H,1-2H2
InChIKeyNGSGKLGYFIDMQK-UHFFFAOYSA-N
XLogP4.02
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.69
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(4-Chlorophenyl)methyl]-5-fluoroindol-3-yl]methanol
CID 52951097
[5-Chloro-1-[(3-fluorophenyl)methyl]indol-3-yl]methanol
CID 52951096
[1-[(4-Chlorophenyl)methyl]-6-fluoroindol-3-yl]methanol
CID 52951098
1-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-propan-1-ol
CID 44297095
1-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-ethanol
CID 44297364
5,6-Difluoro-1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol
CID 162383497
US20250042853, Example 33
CID 168252453
US20250042853, Example 24
CID 168252475
US20250042853, Example 49
CID 168252522
US20250042853, Example 72
CID 168252524
US20250042853, Example 37
CID 168252526
US20250042853, Example 25
CID 168252530

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-fluorophenyl)-3,5,5-trifluoro-6,7-dihydro-4H-indol-4-ol?
The IUPAC name of 1-(3-chloro-5-fluorophenyl)-3,5,5-trifluoro-6,7-dihydro-4H-indol-4-ol (CID 162383378) is 1-(3-chloro-5-fluorophenyl)-3,5,5-trifluoro-6,7-dihydro-4H-indol-4-ol.
What is the SMILES notation for 1-(3-chloro-5-fluorophenyl)-3,5,5-trifluoro-6,7-dihydro-4H-indol-4-ol?
The canonical SMILES for 1-(3-chloro-5-fluorophenyl)-3,5,5-trifluoro-6,7-dihydro-4H-indol-4-ol is OC1c2c(F)cn(-c3cc(F)cc(Cl)c3)c2CCC1(F)F.
What is the InChIKey of 1-(3-chloro-5-fluorophenyl)-3,5,5-trifluoro-6,7-dihydro-4H-indol-4-ol?
The InChIKey is NGSGKLGYFIDMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF4NO/c15-7-3-8(16)5-9(4-7)20-6-10(17)12-11(20)1-2-14(18,19)13(12)21/h3-6,13,21H,1-2H2.
What are the key properties of 1-(3-chloro-5-fluorophenyl)-3,5,5-trifluoro-6,7-dihydro-4H-indol-4-ol?
1-(3-chloro-5-fluorophenyl)-3,5,5-trifluoro-6,7-dihydro-4H-indol-4-ol has a molecular weight of 319.69 g/mol, XLogP of 4.02, 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)-3,5,5-trifluoro-6,7-dihydro-4H-indol-4-ol is sourced from PubChem (CID 162383378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).