4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1H-indol-3-amine

C16H10F6N2 — CID 150198099

IUPAC4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1H-indol-3-amine
SMILESNc1c[nH]c2cc(-c3ccc(C(F)(F)F)cc3)cc(C(F)(F)F)c12
InChIInChI=1S/C16H10F6N2/c17-15(18,19)10-3-1-8(2-4-10)9-5-11(16(20,21)22)14-12(23)7-24-13(14)6-9/h1-7,24H,23H2
InChIKeyFOWIDTWMYKSNKM-UHFFFAOYSA-N
MW344.26 g/mol
LogP5.45
Rot. Bonds1

About 4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1H-indol-3-amine

4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1H-indol-3-amine (PubChem CID 150198099) has the molecular formula C16H10F6N2 and a molecular weight of 344.26 g/mol. Its IUPAC name is 4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1H-indol-3-amine.

Molecular Properties

Compound Name4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1H-indol-3-amine
PubChem CID150198099
Molecular FormulaC16H10F6N2
Molecular Weight344.26 g/mol
Exact Mass344.07
IUPAC Name4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1H-indol-3-amine
SMILESNc1c[nH]c2cc(-c3ccc(C(F)(F)F)cc3)cc(C(F)(F)F)c12
InChIInChI=1S/C16H10F6N2/c17-15(18,19)10-3-1-8(2-4-10)9-5-11(16(20,21)22)14-12(23)7-24-13(14)6-9/h1-7,24H,23H2
InChIKeyFOWIDTWMYKSNKM-UHFFFAOYSA-N
XLogP5.45
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.26
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1H-indol-3-amine?
The IUPAC name of 4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1H-indol-3-amine (CID 150198099) is 4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1H-indol-3-amine.
What is the SMILES notation for 4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1H-indol-3-amine?
The canonical SMILES for 4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1H-indol-3-amine is Nc1c[nH]c2cc(-c3ccc(C(F)(F)F)cc3)cc(C(F)(F)F)c12.
What is the InChIKey of 4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1H-indol-3-amine?
The InChIKey is FOWIDTWMYKSNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F6N2/c17-15(18,19)10-3-1-8(2-4-10)9-5-11(16(20,21)22)14-12(23)7-24-13(14)6-9/h1-7,24H,23H2.
What are the key properties of 4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1H-indol-3-amine?
4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1H-indol-3-amine has a molecular weight of 344.26 g/mol, XLogP of 5.45, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1H-indol-3-amine is sourced from PubChem (CID 150198099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).