1-(trifluoromethyl)-2,3-dihydroindole

C9H8F3N — CID 10877857

IUPAC1-(trifluoromethyl)-2,3-dihydroindole
SMILESFC(F)(F)N1CCc2ccccc21
InChIInChI=1S/C9H8F3N/c10-9(11,12)13-6-5-7-3-1-2-4-8(7)13/h1-4H,5-6H2
InChIKeyOPSIJIHZUVULGY-UHFFFAOYSA-N
MW187.16 g/mol
LogP2.57
Rot. Bonds

About 1-(trifluoromethyl)-2,3-dihydroindole

1-(trifluoromethyl)-2,3-dihydroindole (PubChem CID 10877857) has the molecular formula C9H8F3N and a molecular weight of 187.16 g/mol. Its IUPAC name is 1-(trifluoromethyl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-(trifluoromethyl)-2,3-dihydroindole
PubChem CID10877857
Molecular FormulaC9H8F3N
Molecular Weight187.16 g/mol
Exact Mass187.06
IUPAC Name1-(trifluoromethyl)-2,3-dihydroindole
SMILESFC(F)(F)N1CCc2ccccc21
InChIInChI=1S/C9H8F3N/c10-9(11,12)13-6-5-7-3-1-2-4-8(7)13/h1-4H,5-6H2
InChIKeyOPSIJIHZUVULGY-UHFFFAOYSA-N
XLogP2.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.16
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-2,3-dihydroindole?
The IUPAC name of 1-(trifluoromethyl)-2,3-dihydroindole (CID 10877857) is 1-(trifluoromethyl)-2,3-dihydroindole.
What is the SMILES notation for 1-(trifluoromethyl)-2,3-dihydroindole?
The canonical SMILES for 1-(trifluoromethyl)-2,3-dihydroindole is FC(F)(F)N1CCc2ccccc21.
What is the InChIKey of 1-(trifluoromethyl)-2,3-dihydroindole?
The InChIKey is OPSIJIHZUVULGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N/c10-9(11,12)13-6-5-7-3-1-2-4-8(7)13/h1-4H,5-6H2.
What are the key properties of 1-(trifluoromethyl)-2,3-dihydroindole?
1-(trifluoromethyl)-2,3-dihydroindole has a molecular weight of 187.16 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-2,3-dihydroindole is sourced from PubChem (CID 10877857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).