5-ethyl-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole

C17H16F3N — CID 5136391

IUPAC5-ethyl-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
SMILESCCc1ccc2c(c1)CC(c1ccccc1C(F)(F)F)N2
InChIInChI=1S/C17H16F3N/c1-2-11-7-8-15-12(9-11)10-16(21-15)13-5-3-4-6-14(13)17(18,19)20/h3-9,16,21H,2,10H2,1H3
InChIKeyXJVUUNBCRYXWKD-UHFFFAOYSA-N
MW291.32 g/mol
LogP4.98
Rot. Bonds2

About 5-ethyl-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole

5-ethyl-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole (PubChem CID 5136391) has the molecular formula C17H16F3N and a molecular weight of 291.32 g/mol. Its IUPAC name is 5-ethyl-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-ethyl-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
PubChem CID5136391
Molecular FormulaC17H16F3N
Molecular Weight291.32 g/mol
Exact Mass291.12
IUPAC Name5-ethyl-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
SMILESCCc1ccc2c(c1)CC(c1ccccc1C(F)(F)F)N2
InChIInChI=1S/C17H16F3N/c1-2-11-7-8-15-12(9-11)10-16(21-15)13-5-3-4-6-14(13)17(18,19)20/h3-9,16,21H,2,10H2,1H3
InChIKeyXJVUUNBCRYXWKD-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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Related Compounds

2-(4-tert-butylphenyl)-5-ethyl-2,3-dihydro-1H-indole
CID 5134941
5-ethyl-2-methyl-2,3-dihydro-1H-indole
CID 70571795
2-(4-ethylphenyl)-2,3-dihydro-1H-indole
CID 3934310
5-butyl-2-(2-methoxyphenyl)-2,3-dihydro-1H-indole
CID 3984067
5-ethyl-2-(1-fluoroethyl)-2,3-dihydro-1H-indole
CID 84664966
2-(4-ethylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 3578191
6-ethyl-2-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 70866710
7-chloro-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
CID 3403693
2-(1,1-difluoroethyl)-6-ethyl-2,3-dihydro-1H-indole
CID 84678421
2-tert-butyl-6-ethyl-1,2,3,4-tetrahydroquinolin-3-ol
CID 165488028
4,7-dimethyl-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
CID 5184611
5-ethoxy-2-(2-methylphenyl)-2,3-dihydro-1H-indole
CID 4656228

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole?
The IUPAC name of 5-ethyl-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole (CID 5136391) is 5-ethyl-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-ethyl-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 5-ethyl-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole is CCc1ccc2c(c1)CC(c1ccccc1C(F)(F)F)N2.
What is the InChIKey of 5-ethyl-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole?
The InChIKey is XJVUUNBCRYXWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N/c1-2-11-7-8-15-12(9-11)10-16(21-15)13-5-3-4-6-14(13)17(18,19)20/h3-9,16,21H,2,10H2,1H3.
What are the key properties of 5-ethyl-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole?
5-ethyl-2-[2-(trifluoromethyl)phenyl]-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 5-ethyl-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 5136391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).