5-methoxy-1-[[2-(trifluoromethyl)phenyl]methyl]indole

C17H14F3NO — CID 86094768

IUPAC5-methoxy-1-[[2-(trifluoromethyl)phenyl]methyl]indole
SMILESCOc1ccc2c(ccn2Cc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C17H14F3NO/c1-22-14-6-7-16-12(10-14)8-9-21(16)11-13-4-2-3-5-15(13)17(18,19)20/h2-10H,11H2,1H3
InChIKeyJXAJQJDUXYZYFY-UHFFFAOYSA-N
MW305.30 g/mol
LogP4.72
Rot. Bonds3

About 5-methoxy-1-[[2-(trifluoromethyl)phenyl]methyl]indole

5-methoxy-1-[[2-(trifluoromethyl)phenyl]methyl]indole (PubChem CID 86094768) has the molecular formula C17H14F3NO and a molecular weight of 305.30 g/mol. Its IUPAC name is 5-methoxy-1-[[2-(trifluoromethyl)phenyl]methyl]indole.

Molecular Properties

Compound Name5-methoxy-1-[[2-(trifluoromethyl)phenyl]methyl]indole
PubChem CID86094768
Molecular FormulaC17H14F3NO
Molecular Weight305.30 g/mol
Exact Mass305.10
IUPAC Name5-methoxy-1-[[2-(trifluoromethyl)phenyl]methyl]indole
SMILESCOc1ccc2c(ccn2Cc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C17H14F3NO/c1-22-14-6-7-16-12(10-14)8-9-21(16)11-13-4-2-3-5-15(13)17(18,19)20/h2-10H,11H2,1H3
InChIKeyJXAJQJDUXYZYFY-UHFFFAOYSA-N
XLogP4.72
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 1832
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5-Methoxy-N,N-Diisopropyltryptamine
CID 151182
5-Methoxy 3-(1,2,3,6-tetrahydro-4-pyridinyl)1H indole
CID 108029
5-Methoxytryptophol
CID 12835
5-Methoxyindole
CID 13872
5-Methoxy-N,N-dimethyl-1H-indole-3-methanamine
CID 27965
5-(Benzyloxy)tryptamine
CID 89576
5-MeO-DALT
CID 50878551
5-Methoxy-N-Methyltryptamine
CID 16184
6-Methoxyquinoline
CID 14860

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-[[2-(trifluoromethyl)phenyl]methyl]indole?
The IUPAC name of 5-methoxy-1-[[2-(trifluoromethyl)phenyl]methyl]indole (CID 86094768) is 5-methoxy-1-[[2-(trifluoromethyl)phenyl]methyl]indole.
What is the SMILES notation for 5-methoxy-1-[[2-(trifluoromethyl)phenyl]methyl]indole?
The canonical SMILES for 5-methoxy-1-[[2-(trifluoromethyl)phenyl]methyl]indole is COc1ccc2c(ccn2Cc2ccccc2C(F)(F)F)c1.
What is the InChIKey of 5-methoxy-1-[[2-(trifluoromethyl)phenyl]methyl]indole?
The InChIKey is JXAJQJDUXYZYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO/c1-22-14-6-7-16-12(10-14)8-9-21(16)11-13-4-2-3-5-15(13)17(18,19)20/h2-10H,11H2,1H3.
What are the key properties of 5-methoxy-1-[[2-(trifluoromethyl)phenyl]methyl]indole?
5-methoxy-1-[[2-(trifluoromethyl)phenyl]methyl]indole has a molecular weight of 305.30 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-[[2-(trifluoromethyl)phenyl]methyl]indole is sourced from PubChem (CID 86094768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).