4-[3,5-bis(trifluoromethyl)phenyl]-1H-indole

C16H9F6N — CID 59107889

IUPAC4-[3,5-bis(trifluoromethyl)phenyl]-1H-indole
SMILESFC(F)(F)c1cc(-c2cccc3[nH]ccc23)cc(C(F)(F)F)c1
InChIInChI=1S/C16H9F6N/c17-15(18,19)10-6-9(7-11(8-10)16(20,21)22)12-2-1-3-14-13(12)4-5-23-14/h1-8,23H
InChIKeyRYFFZYIHWNQVGW-UHFFFAOYSA-N
MW329.24 g/mol
LogP5.87
Rot. Bonds1

About 4-[3,5-bis(trifluoromethyl)phenyl]-1H-indole

4-[3,5-bis(trifluoromethyl)phenyl]-1H-indole (PubChem CID 59107889) has the molecular formula C16H9F6N and a molecular weight of 329.24 g/mol. Its IUPAC name is 4-[3,5-bis(trifluoromethyl)phenyl]-1H-indole.

Molecular Properties

Compound Name4-[3,5-bis(trifluoromethyl)phenyl]-1H-indole
PubChem CID59107889
Molecular FormulaC16H9F6N
Molecular Weight329.24 g/mol
Exact Mass329.06
IUPAC Name4-[3,5-bis(trifluoromethyl)phenyl]-1H-indole
SMILESFC(F)(F)c1cc(-c2cccc3[nH]ccc23)cc(C(F)(F)F)c1
InChIInChI=1S/C16H9F6N/c17-15(18,19)10-6-9(7-11(8-10)16(20,21)22)12-2-1-3-14-13(12)4-5-23-14/h1-8,23H
InChIKeyRYFFZYIHWNQVGW-UHFFFAOYSA-N
XLogP5.87
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.24
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis(trifluoromethyl)phenyl]-1H-indole?
The IUPAC name of 4-[3,5-bis(trifluoromethyl)phenyl]-1H-indole (CID 59107889) is 4-[3,5-bis(trifluoromethyl)phenyl]-1H-indole.
What is the SMILES notation for 4-[3,5-bis(trifluoromethyl)phenyl]-1H-indole?
The canonical SMILES for 4-[3,5-bis(trifluoromethyl)phenyl]-1H-indole is FC(F)(F)c1cc(-c2cccc3[nH]ccc23)cc(C(F)(F)F)c1.
What is the InChIKey of 4-[3,5-bis(trifluoromethyl)phenyl]-1H-indole?
The InChIKey is RYFFZYIHWNQVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F6N/c17-15(18,19)10-6-9(7-11(8-10)16(20,21)22)12-2-1-3-14-13(12)4-5-23-14/h1-8,23H.
What are the key properties of 4-[3,5-bis(trifluoromethyl)phenyl]-1H-indole?
4-[3,5-bis(trifluoromethyl)phenyl]-1H-indole has a molecular weight of 329.24 g/mol, XLogP of 5.87, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis(trifluoromethyl)phenyl]-1H-indole is sourced from PubChem (CID 59107889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).