7-ethyl-1-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole

C18H18F3N — CID 139021244

IUPAC7-ethyl-1-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole
SMILESCCc1cccc2c1N(Cc1ccccc1C(F)(F)F)CC2
InChIInChI=1S/C18H18F3N/c1-2-13-7-5-8-14-10-11-22(17(13)14)12-15-6-3-4-9-16(15)18(19,20)21/h3-9H,2,10-12H2,1H3
InChIKeyFIZDAUUOKQHRPY-UHFFFAOYSA-N
MW305.34 g/mol
LogP4.83
Rot. Bonds3

About 7-ethyl-1-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole

7-ethyl-1-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole (PubChem CID 139021244) has the molecular formula C18H18F3N and a molecular weight of 305.34 g/mol. Its IUPAC name is 7-ethyl-1-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole.

Molecular Properties

Compound Name7-ethyl-1-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole
PubChem CID139021244
Molecular FormulaC18H18F3N
Molecular Weight305.34 g/mol
Exact Mass305.14
IUPAC Name7-ethyl-1-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole
SMILESCCc1cccc2c1N(Cc1ccccc1C(F)(F)F)CC2
InChIInChI=1S/C18H18F3N/c1-2-13-7-5-8-14-10-11-22(17(13)14)12-15-6-3-4-9-16(15)18(19,20)21/h3-9H,2,10-12H2,1H3
InChIKeyFIZDAUUOKQHRPY-UHFFFAOYSA-N
XLogP4.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole?
The IUPAC name of 7-ethyl-1-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole (CID 139021244) is 7-ethyl-1-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole.
What is the SMILES notation for 7-ethyl-1-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole?
The canonical SMILES for 7-ethyl-1-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole is CCc1cccc2c1N(Cc1ccccc1C(F)(F)F)CC2.
What is the InChIKey of 7-ethyl-1-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole?
The InChIKey is FIZDAUUOKQHRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N/c1-2-13-7-5-8-14-10-11-22(17(13)14)12-15-6-3-4-9-16(15)18(19,20)21/h3-9H,2,10-12H2,1H3.
What are the key properties of 7-ethyl-1-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole?
7-ethyl-1-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole has a molecular weight of 305.34 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole is sourced from PubChem (CID 139021244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).