5,6-dichloro-2-[4-(trifluoromethoxy)phenyl]-3H-indole

C15H8Cl2F3NO — CID 159546280

IUPAC5,6-dichloro-2-[4-(trifluoromethoxy)phenyl]-3H-indole
SMILESFC(F)(F)Oc1ccc(C2=Nc3cc(Cl)c(Cl)cc3C2)cc1
InChIInChI=1S/C15H8Cl2F3NO/c16-11-5-9-6-13(21-14(9)7-12(11)17)8-1-3-10(4-2-8)22-15(18,19)20/h1-5,7H,6H2
InChIKeyTXPJPBKYHGNYLI-UHFFFAOYSA-N
MW346.14 g/mol
LogP5.57
Rot. Bonds2

About 5,6-dichloro-2-[4-(trifluoromethoxy)phenyl]-3H-indole

5,6-dichloro-2-[4-(trifluoromethoxy)phenyl]-3H-indole (PubChem CID 159546280) has the molecular formula C15H8Cl2F3NO and a molecular weight of 346.14 g/mol. Its IUPAC name is 5,6-dichloro-2-[4-(trifluoromethoxy)phenyl]-3H-indole.

Molecular Properties

Compound Name5,6-dichloro-2-[4-(trifluoromethoxy)phenyl]-3H-indole
PubChem CID159546280
Molecular FormulaC15H8Cl2F3NO
Molecular Weight346.14 g/mol
Exact Mass344.99
IUPAC Name5,6-dichloro-2-[4-(trifluoromethoxy)phenyl]-3H-indole
SMILESFC(F)(F)Oc1ccc(C2=Nc3cc(Cl)c(Cl)cc3C2)cc1
InChIInChI=1S/C15H8Cl2F3NO/c16-11-5-9-6-13(21-14(9)7-12(11)17)8-1-3-10(4-2-8)22-15(18,19)20/h1-5,7H,6H2
InChIKeyTXPJPBKYHGNYLI-UHFFFAOYSA-N
XLogP5.57
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.14
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(trifluoromethyl)-3H-indole;5-chloro-2-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-3H-indole;5,7-dichloro-2-[4-(trifluoromethoxy)phenyl]-3H-indole
CID 158976663
1,2-dichloro-4-[2-chloro-5-(trifluoromethoxy)phenyl]benzene
CID 119016186
2,4-dichloro-1-[4-(trifluoromethoxy)phenyl]benzene
CID 119008449
5-[4-(trifluoromethoxy)phenyl]-3H-indole
CID 163890994
1,2,5-trichloro-3-[4-(trifluoromethoxy)phenyl]benzene
CID 119016233
2-propan-2-yl-6-(trifluoromethoxy)-3H-indole
CID 157181074
(3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 116628508
2-chloro-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzene
CID 118999105
2,6-dichloro-4-[4-(trifluoromethoxy)phenoxy]aniline
CID 90344335
methane;1-methyl-4-(trifluoromethoxy)benzene
CID 160675977
5-chloro-2-phenyl-3H-indole
CID 12835738
3-chloro-6-[4-(trifluoromethoxy)phenyl]pyridazine
CID 43583892

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-[4-(trifluoromethoxy)phenyl]-3H-indole?
The IUPAC name of 5,6-dichloro-2-[4-(trifluoromethoxy)phenyl]-3H-indole (CID 159546280) is 5,6-dichloro-2-[4-(trifluoromethoxy)phenyl]-3H-indole.
What is the SMILES notation for 5,6-dichloro-2-[4-(trifluoromethoxy)phenyl]-3H-indole?
The canonical SMILES for 5,6-dichloro-2-[4-(trifluoromethoxy)phenyl]-3H-indole is FC(F)(F)Oc1ccc(C2=Nc3cc(Cl)c(Cl)cc3C2)cc1.
What is the InChIKey of 5,6-dichloro-2-[4-(trifluoromethoxy)phenyl]-3H-indole?
The InChIKey is TXPJPBKYHGNYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2F3NO/c16-11-5-9-6-13(21-14(9)7-12(11)17)8-1-3-10(4-2-8)22-15(18,19)20/h1-5,7H,6H2.
What are the key properties of 5,6-dichloro-2-[4-(trifluoromethoxy)phenyl]-3H-indole?
5,6-dichloro-2-[4-(trifluoromethoxy)phenyl]-3H-indole has a molecular weight of 346.14 g/mol, XLogP of 5.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-[4-(trifluoromethoxy)phenyl]-3H-indole is sourced from PubChem (CID 159546280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).