2-(4-ethoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole

C17H16F3NO — CID 4657850

IUPAC2-(4-ethoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
SMILESCCOc1ccc(C2Cc3cc(C(F)(F)F)ccc3N2)cc1
InChIInChI=1S/C17H16F3NO/c1-2-22-14-6-3-11(4-7-14)16-10-12-9-13(17(18,19)20)5-8-15(12)21-16/h3-9,16,21H,2,10H2,1H3
InChIKeyPCCJSVBPNHJUIN-UHFFFAOYSA-N
MW307.32 g/mol
LogP4.81
Rot. Bonds3

About 2-(4-ethoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole

2-(4-ethoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole (PubChem CID 4657850) has the molecular formula C17H16F3NO and a molecular weight of 307.32 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
PubChem CID4657850
Molecular FormulaC17H16F3NO
Molecular Weight307.32 g/mol
Exact Mass307.12
IUPAC Name2-(4-ethoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
SMILESCCOc1ccc(C2Cc3cc(C(F)(F)F)ccc3N2)cc1
InChIInChI=1S/C17H16F3NO/c1-2-22-14-6-3-11(4-7-14)16-10-12-9-13(17(18,19)20)5-8-15(12)21-16/h3-9,16,21H,2,10H2,1H3
InChIKeyPCCJSVBPNHJUIN-UHFFFAOYSA-N
XLogP4.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
CID 4984250
2-(3,4-difluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 5187034
(2S)-2-(4-methoxyphenyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 102598226
2-(3-fluoro-4-methoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 3910752
2-(4-tert-butylphenyl)-5-ethyl-2,3-dihydro-1H-indole
CID 5134941
5-ethoxy-2-(2-methylphenyl)-2,3-dihydro-1H-indole
CID 4656228
5-ethoxy-2-methyl-2,3-dihydro-1H-indole
CID 21441430
5-tert-butyl-2-(3,4-dimethylphenyl)-2,3-dihydro-1H-indole
CID 5037732
2-(2,5-dimethylthiophen-3-yl)-5-ethoxy-2,3-dihydro-1H-indole
CID 4657849
(2S)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 142935353
1-[cyclopropyl(difluoro)methyl]-4-ethoxybenzene
CID 116841666
5-ethoxy-2-(2-methoxy-5-methylphenyl)-2,3-dihydro-1H-indole
CID 4271065

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole?
The IUPAC name of 2-(4-ethoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole (CID 4657850) is 2-(4-ethoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(4-ethoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(4-ethoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole is CCOc1ccc(C2Cc3cc(C(F)(F)F)ccc3N2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole?
The InChIKey is PCCJSVBPNHJUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO/c1-2-22-14-6-3-11(4-7-14)16-10-12-9-13(17(18,19)20)5-8-15(12)21-16/h3-9,16,21H,2,10H2,1H3.
What are the key properties of 2-(4-ethoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole?
2-(4-ethoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole has a molecular weight of 307.32 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 4657850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).