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

C23H20F3NO — CID 145022398

IUPAC1,6-dimethyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]indole
SMILESCc1ccc2c(C(CC(F)(F)F)c3ccco3)c(-c3ccccc3)n(C)c2c1
InChIInChI=1S/C23H20F3NO/c1-15-10-11-17-19(13-15)27(2)22(16-7-4-3-5-8-16)21(17)18(14-23(24,25)26)20-9-6-12-28-20/h3-13,18H,14H2,1-2H3
InChIKeyUQGIPGSAHJQSGW-UHFFFAOYSA-N
MW383.41 g/mol
LogP6.83
Rot. Bonds4

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

1,6-dimethyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]indole (PubChem CID 145022398) has the molecular formula C23H20F3NO and a molecular weight of 383.41 g/mol. Its IUPAC name is 1,6-dimethyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]indole.

Molecular Properties

Compound Name1,6-dimethyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]indole
PubChem CID145022398
Molecular FormulaC23H20F3NO
Molecular Weight383.41 g/mol
Exact Mass383.15
IUPAC Name1,6-dimethyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]indole
SMILESCc1ccc2c(C(CC(F)(F)F)c3ccco3)c(-c3ccccc3)n(C)c2c1
InChIInChI=1S/C23H20F3NO/c1-15-10-11-17-19(13-15)27(2)22(16-7-4-3-5-8-16)21(17)18(14-23(24,25)26)20-9-6-12-28-20/h3-13,18H,14H2,1-2H3
InChIKeyUQGIPGSAHJQSGW-UHFFFAOYSA-N
XLogP6.83
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.41
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]indole?
The IUPAC name of 1,6-dimethyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]indole (CID 145022398) is 1,6-dimethyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]indole.
What is the SMILES notation for 1,6-dimethyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]indole?
The canonical SMILES for 1,6-dimethyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]indole is Cc1ccc2c(C(CC(F)(F)F)c3ccco3)c(-c3ccccc3)n(C)c2c1.
What is the InChIKey of 1,6-dimethyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]indole?
The InChIKey is UQGIPGSAHJQSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3NO/c1-15-10-11-17-19(13-15)27(2)22(16-7-4-3-5-8-16)21(17)18(14-23(24,25)26)20-9-6-12-28-20/h3-13,18H,14H2,1-2H3.
What are the key properties of 1,6-dimethyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]indole?
1,6-dimethyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]indole has a molecular weight of 383.41 g/mol, XLogP of 6.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]indole is sourced from PubChem (CID 145022398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).