5,6-bis(trifluoromethyl)-1H-indole

C10H5F6N — CID 175260165

IUPAC5,6-bis(trifluoromethyl)-1H-indole
SMILESFC(F)(F)c1cc2cc[nH]c2cc1C(F)(F)F
InChIInChI=1S/C10H5F6N/c11-9(12,13)6-3-5-1-2-17-8(5)4-7(6)10(14,15)16/h1-4,17H
InChIKeyATGJTBVDJYSNKV-UHFFFAOYSA-N
MW253.15 g/mol
LogP4.21
Rot. Bonds

About 5,6-bis(trifluoromethyl)-1H-indole

5,6-bis(trifluoromethyl)-1H-indole (PubChem CID 175260165) has the molecular formula C10H5F6N and a molecular weight of 253.15 g/mol. Its IUPAC name is 5,6-bis(trifluoromethyl)-1H-indole.

Molecular Properties

Compound Name5,6-bis(trifluoromethyl)-1H-indole
PubChem CID175260165
Molecular FormulaC10H5F6N
Molecular Weight253.15 g/mol
Exact Mass253.03
IUPAC Name5,6-bis(trifluoromethyl)-1H-indole
SMILESFC(F)(F)c1cc2cc[nH]c2cc1C(F)(F)F
InChIInChI=1S/C10H5F6N/c11-9(12,13)6-3-5-1-2-17-8(5)4-7(6)10(14,15)16/h1-4,17H
InChIKeyATGJTBVDJYSNKV-UHFFFAOYSA-N
XLogP4.21
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.15
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

6-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-indole
CID 90905265
5-fluoro-6-(trifluoromethoxy)-1H-indole
CID 142439900
5,6-dichloro-1H-indole
CID 10487776
1H-indole;2-(trifluoromethyl)aniline
CID 158161787
6-(trifluoromethylsulfanyl)-1H-indole
CID 142476966
5-fluoro-1H-indole;molecular fluorine
CID 123133815
2,3-bis(trifluoromethyl)tetracene
CID 22151700
(1R)-2,2,2-trifluoro-1-(1H-indol-6-yl)ethanamine
CID 66510965
1H-indol-5-ol;2,2,2-trifluoroacetic acid
CID 162071647
2-fluoro-2-(1H-indol-5-yl)propanal
CID 174565115
(1S)-2,2,2-trifluoro-1-(1H-indol-6-yl)ethanamine;hydrochloride
CID 171248192
1-(1,3-benzodioxol-5-yl)-N-[5-(trifluoromethyl)-1H-indol-6-yl]cyclopropane-1-carboxamide;molecular hydrogen
CID 160769889

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(trifluoromethyl)-1H-indole?
The IUPAC name of 5,6-bis(trifluoromethyl)-1H-indole (CID 175260165) is 5,6-bis(trifluoromethyl)-1H-indole.
What is the SMILES notation for 5,6-bis(trifluoromethyl)-1H-indole?
The canonical SMILES for 5,6-bis(trifluoromethyl)-1H-indole is FC(F)(F)c1cc2cc[nH]c2cc1C(F)(F)F.
What is the InChIKey of 5,6-bis(trifluoromethyl)-1H-indole?
The InChIKey is ATGJTBVDJYSNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F6N/c11-9(12,13)6-3-5-1-2-17-8(5)4-7(6)10(14,15)16/h1-4,17H.
What are the key properties of 5,6-bis(trifluoromethyl)-1H-indole?
5,6-bis(trifluoromethyl)-1H-indole has a molecular weight of 253.15 g/mol, XLogP of 4.21, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(trifluoromethyl)-1H-indole is sourced from PubChem (CID 175260165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).