5-[2,4-bis(trifluoromethyl)phenyl]-2-(2,6-difluorophenyl)-1H-indole

C22H11F8N — CID 51037097

IUPAC5-[2,4-bis(trifluoromethyl)phenyl]-2-(2,6-difluorophenyl)-1H-indole
SMILESFc1cccc(F)c1-c1cc2cc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)ccc2[nH]1
InChIInChI=1S/C22H11F8N/c23-16-2-1-3-17(24)20(16)19-9-12-8-11(4-7-18(12)31-19)14-6-5-13(21(25,26)27)10-15(14)22(28,29)30/h1-10,31H
InChIKeyKSEBRGMXWUWLOH-UHFFFAOYSA-N
MW441.32 g/mol
LogP7.82
Rot. Bonds2

About 5-[2,4-bis(trifluoromethyl)phenyl]-2-(2,6-difluorophenyl)-1H-indole

5-[2,4-bis(trifluoromethyl)phenyl]-2-(2,6-difluorophenyl)-1H-indole (PubChem CID 51037097) has the molecular formula C22H11F8N and a molecular weight of 441.32 g/mol. Its IUPAC name is 5-[2,4-bis(trifluoromethyl)phenyl]-2-(2,6-difluorophenyl)-1H-indole.

Molecular Properties

Compound Name5-[2,4-bis(trifluoromethyl)phenyl]-2-(2,6-difluorophenyl)-1H-indole
PubChem CID51037097
Molecular FormulaC22H11F8N
Molecular Weight441.32 g/mol
Exact Mass441.08
IUPAC Name5-[2,4-bis(trifluoromethyl)phenyl]-2-(2,6-difluorophenyl)-1H-indole
SMILESFc1cccc(F)c1-c1cc2cc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)ccc2[nH]1
InChIInChI=1S/C22H11F8N/c23-16-2-1-3-17(24)20(16)19-9-12-8-11(4-7-18(12)31-19)14-6-5-13(21(25,26)27)10-15(14)22(28,29)30/h1-10,31H
InChIKeyKSEBRGMXWUWLOH-UHFFFAOYSA-N
XLogP7.82
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.32
LogP ≤ 57.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-[2,4-bis(trifluoromethyl)phenyl]-2-(2,6-difluorophenyl)-1H-indole?
The IUPAC name of 5-[2,4-bis(trifluoromethyl)phenyl]-2-(2,6-difluorophenyl)-1H-indole (CID 51037097) is 5-[2,4-bis(trifluoromethyl)phenyl]-2-(2,6-difluorophenyl)-1H-indole.
What is the SMILES notation for 5-[2,4-bis(trifluoromethyl)phenyl]-2-(2,6-difluorophenyl)-1H-indole?
The canonical SMILES for 5-[2,4-bis(trifluoromethyl)phenyl]-2-(2,6-difluorophenyl)-1H-indole is Fc1cccc(F)c1-c1cc2cc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)ccc2[nH]1.
What is the InChIKey of 5-[2,4-bis(trifluoromethyl)phenyl]-2-(2,6-difluorophenyl)-1H-indole?
The InChIKey is KSEBRGMXWUWLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H11F8N/c23-16-2-1-3-17(24)20(16)19-9-12-8-11(4-7-18(12)31-19)14-6-5-13(21(25,26)27)10-15(14)22(28,29)30/h1-10,31H.
What are the key properties of 5-[2,4-bis(trifluoromethyl)phenyl]-2-(2,6-difluorophenyl)-1H-indole?
5-[2,4-bis(trifluoromethyl)phenyl]-2-(2,6-difluorophenyl)-1H-indole has a molecular weight of 441.32 g/mol, XLogP of 7.82, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,4-bis(trifluoromethyl)phenyl]-2-(2,6-difluorophenyl)-1H-indole is sourced from PubChem (CID 51037097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).