2-(trifluoromethyl)-5,6,7,7a-tetrahydro-1H-indole

C9H10F3N — CID 141143762

IUPAC2-(trifluoromethyl)-5,6,7,7a-tetrahydro-1H-indole
SMILESFC(F)(F)C1=CC2=CCCCC2N1
InChIInChI=1S/C9H10F3N/c10-9(11,12)8-5-6-3-1-2-4-7(6)13-8/h3,5,7,13H,1-2,4H2
InChIKeyZPCWKTLFZPUDSB-UHFFFAOYSA-N
MW189.18 g/mol
LogP2.51
Rot. Bonds

About 2-(trifluoromethyl)-5,6,7,7a-tetrahydro-1H-indole

2-(trifluoromethyl)-5,6,7,7a-tetrahydro-1H-indole (PubChem CID 141143762) has the molecular formula C9H10F3N and a molecular weight of 189.18 g/mol. Its IUPAC name is 2-(trifluoromethyl)-5,6,7,7a-tetrahydro-1H-indole.

Molecular Properties

Compound Name2-(trifluoromethyl)-5,6,7,7a-tetrahydro-1H-indole
PubChem CID141143762
Molecular FormulaC9H10F3N
Molecular Weight189.18 g/mol
Exact Mass189.08
IUPAC Name2-(trifluoromethyl)-5,6,7,7a-tetrahydro-1H-indole
SMILESFC(F)(F)C1=CC2=CCCCC2N1
InChIInChI=1S/C9H10F3N/c10-9(11,12)8-5-6-3-1-2-4-7(6)13-8/h3,5,7,13H,1-2,4H2
InChIKeyZPCWKTLFZPUDSB-UHFFFAOYSA-N
XLogP2.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-5,6,7,7a-tetrahydro-1H-indole?
The IUPAC name of 2-(trifluoromethyl)-5,6,7,7a-tetrahydro-1H-indole (CID 141143762) is 2-(trifluoromethyl)-5,6,7,7a-tetrahydro-1H-indole.
What is the SMILES notation for 2-(trifluoromethyl)-5,6,7,7a-tetrahydro-1H-indole?
The canonical SMILES for 2-(trifluoromethyl)-5,6,7,7a-tetrahydro-1H-indole is FC(F)(F)C1=CC2=CCCCC2N1.
What is the InChIKey of 2-(trifluoromethyl)-5,6,7,7a-tetrahydro-1H-indole?
The InChIKey is ZPCWKTLFZPUDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N/c10-9(11,12)8-5-6-3-1-2-4-7(6)13-8/h3,5,7,13H,1-2,4H2.
What are the key properties of 2-(trifluoromethyl)-5,6,7,7a-tetrahydro-1H-indole?
2-(trifluoromethyl)-5,6,7,7a-tetrahydro-1H-indole has a molecular weight of 189.18 g/mol, XLogP of 2.51, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-5,6,7,7a-tetrahydro-1H-indole is sourced from PubChem (CID 141143762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).