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

C21H15ClF3NO — CID 118908922

IUPAC6-chloro-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole
SMILESFC(F)(F)CC(c1ccco1)c1c(-c2ccccc2)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C21H15ClF3NO/c22-14-8-9-15-17(11-14)26-20(13-5-2-1-3-6-13)19(15)16(12-21(23,24)25)18-7-4-10-27-18/h1-11,16,26H,12H2
InChIKeyLZCIUQDWSIYVCY-UHFFFAOYSA-N
MW389.80 g/mol
LogP7.17
Rot. Bonds4

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

6-chloro-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole (PubChem CID 118908922) has the molecular formula C21H15ClF3NO and a molecular weight of 389.80 g/mol. Its IUPAC name is 6-chloro-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole.

Molecular Properties

Compound Name6-chloro-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole
PubChem CID118908922
Molecular FormulaC21H15ClF3NO
Molecular Weight389.80 g/mol
Exact Mass389.08
IUPAC Name6-chloro-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole
SMILESFC(F)(F)CC(c1ccco1)c1c(-c2ccccc2)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C21H15ClF3NO/c22-14-8-9-15-17(11-14)26-20(13-5-2-1-3-6-13)19(15)16(12-21(23,24)25)18-7-4-10-27-18/h1-11,16,26H,12H2
InChIKeyLZCIUQDWSIYVCY-UHFFFAOYSA-N
XLogP7.17
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.80
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole?
The IUPAC name of 6-chloro-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole (CID 118908922) is 6-chloro-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole.
What is the SMILES notation for 6-chloro-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole?
The canonical SMILES for 6-chloro-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole is FC(F)(F)CC(c1ccco1)c1c(-c2ccccc2)[nH]c2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole?
The InChIKey is LZCIUQDWSIYVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF3NO/c22-14-8-9-15-17(11-14)26-20(13-5-2-1-3-6-13)19(15)16(12-21(23,24)25)18-7-4-10-27-18/h1-11,16,26H,12H2.
What are the key properties of 6-chloro-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole?
6-chloro-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole has a molecular weight of 389.80 g/mol, XLogP of 7.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole is sourced from PubChem (CID 118908922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).