3-propyl-2-(trifluoromethyl)-3a,7a-dihydro-1H-indole

C12H14F3N — CID 155698557

IUPAC3-propyl-2-(trifluoromethyl)-3a,7a-dihydro-1H-indole
SMILESCCCC1=C(C(F)(F)F)NC2C=CC=CC12
InChIInChI=1S/C12H14F3N/c1-2-5-9-8-6-3-4-7-10(8)16-11(9)12(13,14)15/h3-4,6-8,10,16H,2,5H2,1H3
InChIKeyWAZVZTGSQOCSLJ-UHFFFAOYSA-N
MW229.24 g/mol
LogP3.32
Rot. Bonds2

About 3-propyl-2-(trifluoromethyl)-3a,7a-dihydro-1H-indole

3-propyl-2-(trifluoromethyl)-3a,7a-dihydro-1H-indole (PubChem CID 155698557) has the molecular formula C12H14F3N and a molecular weight of 229.24 g/mol. Its IUPAC name is 3-propyl-2-(trifluoromethyl)-3a,7a-dihydro-1H-indole.

Molecular Properties

Compound Name3-propyl-2-(trifluoromethyl)-3a,7a-dihydro-1H-indole
PubChem CID155698557
Molecular FormulaC12H14F3N
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name3-propyl-2-(trifluoromethyl)-3a,7a-dihydro-1H-indole
SMILESCCCC1=C(C(F)(F)F)NC2C=CC=CC12
InChIInChI=1S/C12H14F3N/c1-2-5-9-8-6-3-4-7-10(8)16-11(9)12(13,14)15/h3-4,6-8,10,16H,2,5H2,1H3
InChIKeyWAZVZTGSQOCSLJ-UHFFFAOYSA-N
XLogP3.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-2-(trifluoromethyl)-3a,7a-dihydro-1H-indole?
The IUPAC name of 3-propyl-2-(trifluoromethyl)-3a,7a-dihydro-1H-indole (CID 155698557) is 3-propyl-2-(trifluoromethyl)-3a,7a-dihydro-1H-indole.
What is the SMILES notation for 3-propyl-2-(trifluoromethyl)-3a,7a-dihydro-1H-indole?
The canonical SMILES for 3-propyl-2-(trifluoromethyl)-3a,7a-dihydro-1H-indole is CCCC1=C(C(F)(F)F)NC2C=CC=CC12.
What is the InChIKey of 3-propyl-2-(trifluoromethyl)-3a,7a-dihydro-1H-indole?
The InChIKey is WAZVZTGSQOCSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N/c1-2-5-9-8-6-3-4-7-10(8)16-11(9)12(13,14)15/h3-4,6-8,10,16H,2,5H2,1H3.
What are the key properties of 3-propyl-2-(trifluoromethyl)-3a,7a-dihydro-1H-indole?
3-propyl-2-(trifluoromethyl)-3a,7a-dihydro-1H-indole has a molecular weight of 229.24 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-2-(trifluoromethyl)-3a,7a-dihydro-1H-indole is sourced from PubChem (CID 155698557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).