2-(4-ethylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole

C17H16F3N — CID 3578191

IUPAC2-(4-ethylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole
SMILESCCc1ccc(C2Cc3cccc(C(F)(F)F)c3N2)cc1
InChIInChI=1S/C17H16F3N/c1-2-11-6-8-12(9-7-11)15-10-13-4-3-5-14(16(13)21-15)17(18,19)20/h3-9,15,21H,2,10H2,1H3
InChIKeyZSUHWKJFUMQFCW-UHFFFAOYSA-N
MW291.32 g/mol
LogP4.98
Rot. Bonds2

About 2-(4-ethylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole

2-(4-ethylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole (PubChem CID 3578191) has the molecular formula C17H16F3N and a molecular weight of 291.32 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(4-ethylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole
PubChem CID3578191
Molecular FormulaC17H16F3N
Molecular Weight291.32 g/mol
Exact Mass291.12
IUPAC Name2-(4-ethylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole
SMILESCCc1ccc(C2Cc3cccc(C(F)(F)F)c3N2)cc1
InChIInChI=1S/C17H16F3N/c1-2-11-6-8-12(9-7-11)15-10-13-4-3-5-14(16(13)21-15)17(18,19)20/h3-9,15,21H,2,10H2,1H3
InChIKeyZSUHWKJFUMQFCW-UHFFFAOYSA-N
XLogP4.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole?
The IUPAC name of 2-(4-ethylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole (CID 3578191) is 2-(4-ethylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(4-ethylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(4-ethylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole is CCc1ccc(C2Cc3cccc(C(F)(F)F)c3N2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole?
The InChIKey is ZSUHWKJFUMQFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N/c1-2-11-6-8-12(9-7-11)15-10-13-4-3-5-14(16(13)21-15)17(18,19)20/h3-9,15,21H,2,10H2,1H3.
What are the key properties of 2-(4-ethylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole?
2-(4-ethylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole has a molecular weight of 291.32 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 3578191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).