4-(trifluoromethyl)-3a,4-dihydro-1H-indole

C9H8F3N — CID 146494442

IUPAC4-(trifluoromethyl)-3a,4-dihydro-1H-indole
SMILESFC(F)(F)C1C=CC=C2NC=CC21
InChIInChI=1S/C9H8F3N/c10-9(11,12)7-2-1-3-8-6(7)4-5-13-8/h1-7,13H
InChIKeyPDQSTLMYRWYQPI-UHFFFAOYSA-N
MW187.16 g/mol
LogP2.35
Rot. Bonds

About 4-(trifluoromethyl)-3a,4-dihydro-1H-indole

4-(trifluoromethyl)-3a,4-dihydro-1H-indole (PubChem CID 146494442) has the molecular formula C9H8F3N and a molecular weight of 187.16 g/mol. Its IUPAC name is 4-(trifluoromethyl)-3a,4-dihydro-1H-indole.

Molecular Properties

Compound Name4-(trifluoromethyl)-3a,4-dihydro-1H-indole
PubChem CID146494442
Molecular FormulaC9H8F3N
Molecular Weight187.16 g/mol
Exact Mass187.06
IUPAC Name4-(trifluoromethyl)-3a,4-dihydro-1H-indole
SMILESFC(F)(F)C1C=CC=C2NC=CC21
InChIInChI=1S/C9H8F3N/c10-9(11,12)7-2-1-3-8-6(7)4-5-13-8/h1-7,13H
InChIKeyPDQSTLMYRWYQPI-UHFFFAOYSA-N
XLogP2.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.16
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-3a,4-dihydro-1H-indole?
The IUPAC name of 4-(trifluoromethyl)-3a,4-dihydro-1H-indole (CID 146494442) is 4-(trifluoromethyl)-3a,4-dihydro-1H-indole.
What is the SMILES notation for 4-(trifluoromethyl)-3a,4-dihydro-1H-indole?
The canonical SMILES for 4-(trifluoromethyl)-3a,4-dihydro-1H-indole is FC(F)(F)C1C=CC=C2NC=CC21.
What is the InChIKey of 4-(trifluoromethyl)-3a,4-dihydro-1H-indole?
The InChIKey is PDQSTLMYRWYQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N/c10-9(11,12)7-2-1-3-8-6(7)4-5-13-8/h1-7,13H.
What are the key properties of 4-(trifluoromethyl)-3a,4-dihydro-1H-indole?
4-(trifluoromethyl)-3a,4-dihydro-1H-indole has a molecular weight of 187.16 g/mol, XLogP of 2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-3a,4-dihydro-1H-indole is sourced from PubChem (CID 146494442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).