6-methyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole

C22H18F3NO — CID 118908920

IUPAC6-methyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole
SMILESCc1ccc2c(C(CC(F)(F)F)c3ccco3)c(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C22H18F3NO/c1-14-9-10-16-18(12-14)26-21(15-6-3-2-4-7-15)20(16)17(13-22(23,24)25)19-8-5-11-27-19/h2-12,17,26H,13H2,1H3
InChIKeyRTAXHKHEIQOXFJ-UHFFFAOYSA-N
MW369.39 g/mol
LogP6.82
Rot. Bonds4

About 6-methyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole

6-methyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole (PubChem CID 118908920) has the molecular formula C22H18F3NO and a molecular weight of 369.39 g/mol. Its IUPAC name is 6-methyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole.

Molecular Properties

Compound Name6-methyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole
PubChem CID118908920
Molecular FormulaC22H18F3NO
Molecular Weight369.39 g/mol
Exact Mass369.13
IUPAC Name6-methyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole
SMILESCc1ccc2c(C(CC(F)(F)F)c3ccco3)c(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C22H18F3NO/c1-14-9-10-16-18(12-14)26-21(15-6-3-2-4-7-15)20(16)17(13-22(23,24)25)19-8-5-11-27-19/h2-12,17,26H,13H2,1H3
InChIKeyRTAXHKHEIQOXFJ-UHFFFAOYSA-N
XLogP6.82
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.39
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole?
The IUPAC name of 6-methyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole (CID 118908920) is 6-methyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole.
What is the SMILES notation for 6-methyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole?
The canonical SMILES for 6-methyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole is Cc1ccc2c(C(CC(F)(F)F)c3ccco3)c(-c3ccccc3)[nH]c2c1.
What is the InChIKey of 6-methyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole?
The InChIKey is RTAXHKHEIQOXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3NO/c1-14-9-10-16-18(12-14)26-21(15-6-3-2-4-7-15)20(16)17(13-22(23,24)25)19-8-5-11-27-19/h2-12,17,26H,13H2,1H3.
What are the key properties of 6-methyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole?
6-methyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole has a molecular weight of 369.39 g/mol, XLogP of 6.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole is sourced from PubChem (CID 118908920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).