3a-(trifluoromethyl)-1,2,3,4-tetrahydroindole

C9H10F3N — CID 141205092

IUPAC3a-(trifluoromethyl)-1,2,3,4-tetrahydroindole
SMILESFC(F)(F)C12CC=CC=C1NCC2
InChIInChI=1S/C9H10F3N/c10-9(11,12)8-4-2-1-3-7(8)13-6-5-8/h1-3,13H,4-6H2
InChIKeyJCJFUXNDZNLYCS-UHFFFAOYSA-N
MW189.18 g/mol
LogP2.37
Rot. Bonds

About 3a-(trifluoromethyl)-1,2,3,4-tetrahydroindole

3a-(trifluoromethyl)-1,2,3,4-tetrahydroindole (PubChem CID 141205092) has the molecular formula C9H10F3N and a molecular weight of 189.18 g/mol. Its IUPAC name is 3a-(trifluoromethyl)-1,2,3,4-tetrahydroindole.

Molecular Properties

Compound Name3a-(trifluoromethyl)-1,2,3,4-tetrahydroindole
PubChem CID141205092
Molecular FormulaC9H10F3N
Molecular Weight189.18 g/mol
Exact Mass189.08
IUPAC Name3a-(trifluoromethyl)-1,2,3,4-tetrahydroindole
SMILESFC(F)(F)C12CC=CC=C1NCC2
InChIInChI=1S/C9H10F3N/c10-9(11,12)8-4-2-1-3-7(8)13-6-5-8/h1-3,13H,4-6H2
InChIKeyJCJFUXNDZNLYCS-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3a-(trifluoromethyl)-1,2,3,4-tetrahydroindole?
The IUPAC name of 3a-(trifluoromethyl)-1,2,3,4-tetrahydroindole (CID 141205092) is 3a-(trifluoromethyl)-1,2,3,4-tetrahydroindole.
What is the SMILES notation for 3a-(trifluoromethyl)-1,2,3,4-tetrahydroindole?
The canonical SMILES for 3a-(trifluoromethyl)-1,2,3,4-tetrahydroindole is FC(F)(F)C12CC=CC=C1NCC2.
What is the InChIKey of 3a-(trifluoromethyl)-1,2,3,4-tetrahydroindole?
The InChIKey is JCJFUXNDZNLYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N/c10-9(11,12)8-4-2-1-3-7(8)13-6-5-8/h1-3,13H,4-6H2.
What are the key properties of 3a-(trifluoromethyl)-1,2,3,4-tetrahydroindole?
3a-(trifluoromethyl)-1,2,3,4-tetrahydroindole has a molecular weight of 189.18 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-(trifluoromethyl)-1,2,3,4-tetrahydroindole is sourced from PubChem (CID 141205092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).