1-benzyl-6-[4-(trifluoromethyl)phenyl]indole

C22H16F3N — CID 22032920

IUPAC1-benzyl-6-[4-(trifluoromethyl)phenyl]indole
SMILESFC(F)(F)c1ccc(-c2ccc3ccn(Cc4ccccc4)c3c2)cc1
InChIInChI=1S/C22H16F3N/c23-22(24,25)20-10-8-17(9-11-20)19-7-6-18-12-13-26(21(18)14-19)15-16-4-2-1-3-5-16/h1-14H,15H2
InChIKeyKFVUGAJXIJXNTJ-UHFFFAOYSA-N
MW351.37 g/mol
LogP6.38
Rot. Bonds3

About 1-benzyl-6-[4-(trifluoromethyl)phenyl]indole

1-benzyl-6-[4-(trifluoromethyl)phenyl]indole (PubChem CID 22032920) has the molecular formula C22H16F3N and a molecular weight of 351.37 g/mol. Its IUPAC name is 1-benzyl-6-[4-(trifluoromethyl)phenyl]indole.

Molecular Properties

Compound Name1-benzyl-6-[4-(trifluoromethyl)phenyl]indole
PubChem CID22032920
Molecular FormulaC22H16F3N
Molecular Weight351.37 g/mol
Exact Mass351.12
IUPAC Name1-benzyl-6-[4-(trifluoromethyl)phenyl]indole
SMILESFC(F)(F)c1ccc(-c2ccc3ccn(Cc4ccccc4)c3c2)cc1
InChIInChI=1S/C22H16F3N/c23-22(24,25)20-10-8-17(9-11-20)19-7-6-18-12-13-26(21(18)14-19)15-16-4-2-1-3-5-16/h1-14H,15H2
InChIKeyKFVUGAJXIJXNTJ-UHFFFAOYSA-N
XLogP6.38
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.37
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-[4-(trifluoromethyl)phenyl]indole?
The IUPAC name of 1-benzyl-6-[4-(trifluoromethyl)phenyl]indole (CID 22032920) is 1-benzyl-6-[4-(trifluoromethyl)phenyl]indole.
What is the SMILES notation for 1-benzyl-6-[4-(trifluoromethyl)phenyl]indole?
The canonical SMILES for 1-benzyl-6-[4-(trifluoromethyl)phenyl]indole is FC(F)(F)c1ccc(-c2ccc3ccn(Cc4ccccc4)c3c2)cc1.
What is the InChIKey of 1-benzyl-6-[4-(trifluoromethyl)phenyl]indole?
The InChIKey is KFVUGAJXIJXNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N/c23-22(24,25)20-10-8-17(9-11-20)19-7-6-18-12-13-26(21(18)14-19)15-16-4-2-1-3-5-16/h1-14H,15H2.
What are the key properties of 1-benzyl-6-[4-(trifluoromethyl)phenyl]indole?
1-benzyl-6-[4-(trifluoromethyl)phenyl]indole has a molecular weight of 351.37 g/mol, XLogP of 6.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-[4-(trifluoromethyl)phenyl]indole is sourced from PubChem (CID 22032920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).