3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1H-indole

C17H14F3NO — CID 175085048

IUPAC3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1H-indole
SMILESFC(F)(F)COc1ccc(Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C17H14F3NO/c18-17(19,20)11-22-14-7-5-12(6-8-14)9-13-10-21-16-4-2-1-3-15(13)16/h1-8,10,21H,9,11H2
InChIKeyQJZDBFVSTYXNIX-UHFFFAOYSA-N
MW305.30 g/mol
LogP4.70
Rot. Bonds4

About 3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1H-indole

3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1H-indole (PubChem CID 175085048) has the molecular formula C17H14F3NO and a molecular weight of 305.30 g/mol. Its IUPAC name is 3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1H-indole.

Molecular Properties

Compound Name3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1H-indole
PubChem CID175085048
Molecular FormulaC17H14F3NO
Molecular Weight305.30 g/mol
Exact Mass305.10
IUPAC Name3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1H-indole
SMILESFC(F)(F)COc1ccc(Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C17H14F3NO/c18-17(19,20)11-22-14-7-5-12(6-8-14)9-13-10-21-16-4-2-1-3-15(13)16/h1-8,10,21H,9,11H2
InChIKeyQJZDBFVSTYXNIX-UHFFFAOYSA-N
XLogP4.70
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-nitrosophenyl)methyl]-1H-indole
CID 139526276
2-(2-methylphenyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 30293543
3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-1H-indole
CID 139401317
4-(1H-indol-3-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]butanamide
CID 67290823
N'-[2-(1H-indol-3-yl)acetyl]-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide
CID 18269145
1-(1H-indol-3-ylmethyl)isoquinoline
CID 24973276
5-(1H-indol-3-ylmethyl)-1,2-dihydro-1,2,4-triazole-3-thione
CID 10728167
2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]ethanamine
CID 67232901
N'-[2-(4-fluorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide
CID 26932809
6-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1H-indole;hydrochloride
CID 175085793
1-[2-(1H-indol-3-yl)ethyl]-3-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 110995208
3-[(2-methoxyphenyl)methyl]-1H-indole
CID 102404836

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1H-indole?
The IUPAC name of 3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1H-indole (CID 175085048) is 3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1H-indole.
What is the SMILES notation for 3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1H-indole?
The canonical SMILES for 3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1H-indole is FC(F)(F)COc1ccc(Cc2c[nH]c3ccccc23)cc1.
What is the InChIKey of 3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1H-indole?
The InChIKey is QJZDBFVSTYXNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO/c18-17(19,20)11-22-14-7-5-12(6-8-14)9-13-10-21-16-4-2-1-3-15(13)16/h1-8,10,21H,9,11H2.
What are the key properties of 3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1H-indole?
3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1H-indole has a molecular weight of 305.30 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1H-indole is sourced from PubChem (CID 175085048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).