3-(1,2,3,6-tetrahydropyridin-4-yl)-6-(trifluoromethyl)-7,7a-dihydro-1H-indole

C14H15F3N2 — CID 144855036

IUPAC3-(1,2,3,6-tetrahydropyridin-4-yl)-6-(trifluoromethyl)-7,7a-dihydro-1H-indole
SMILESFC(F)(F)C1=CC=C2C(C3=CCNCC3)=CNC2C1
InChIInChI=1S/C14H15F3N2/c15-14(16,17)10-1-2-11-12(8-19-13(11)7-10)9-3-5-18-6-4-9/h1-3,8,13,18-19H,4-7H2
InChIKeyAGZLLMBIQKIECA-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.58
Rot. Bonds1

About 3-(1,2,3,6-tetrahydropyridin-4-yl)-6-(trifluoromethyl)-7,7a-dihydro-1H-indole

3-(1,2,3,6-tetrahydropyridin-4-yl)-6-(trifluoromethyl)-7,7a-dihydro-1H-indole (PubChem CID 144855036) has the molecular formula C14H15F3N2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 3-(1,2,3,6-tetrahydropyridin-4-yl)-6-(trifluoromethyl)-7,7a-dihydro-1H-indole.

Molecular Properties

Compound Name3-(1,2,3,6-tetrahydropyridin-4-yl)-6-(trifluoromethyl)-7,7a-dihydro-1H-indole
PubChem CID144855036
Molecular FormulaC14H15F3N2
Molecular Weight268.28 g/mol
Exact Mass268.12
IUPAC Name3-(1,2,3,6-tetrahydropyridin-4-yl)-6-(trifluoromethyl)-7,7a-dihydro-1H-indole
SMILESFC(F)(F)C1=CC=C2C(C3=CCNCC3)=CNC2C1
InChIInChI=1S/C14H15F3N2/c15-14(16,17)10-1-2-11-12(8-19-13(11)7-10)9-3-5-18-6-4-9/h1-3,8,13,18-19H,4-7H2
InChIKeyAGZLLMBIQKIECA-UHFFFAOYSA-N
XLogP2.58
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,6-tetrahydropyridin-4-yl)-6-(trifluoromethyl)-7,7a-dihydro-1H-indole?
The IUPAC name of 3-(1,2,3,6-tetrahydropyridin-4-yl)-6-(trifluoromethyl)-7,7a-dihydro-1H-indole (CID 144855036) is 3-(1,2,3,6-tetrahydropyridin-4-yl)-6-(trifluoromethyl)-7,7a-dihydro-1H-indole.
What is the SMILES notation for 3-(1,2,3,6-tetrahydropyridin-4-yl)-6-(trifluoromethyl)-7,7a-dihydro-1H-indole?
The canonical SMILES for 3-(1,2,3,6-tetrahydropyridin-4-yl)-6-(trifluoromethyl)-7,7a-dihydro-1H-indole is FC(F)(F)C1=CC=C2C(C3=CCNCC3)=CNC2C1.
What is the InChIKey of 3-(1,2,3,6-tetrahydropyridin-4-yl)-6-(trifluoromethyl)-7,7a-dihydro-1H-indole?
The InChIKey is AGZLLMBIQKIECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2/c15-14(16,17)10-1-2-11-12(8-19-13(11)7-10)9-3-5-18-6-4-9/h1-3,8,13,18-19H,4-7H2.
What are the key properties of 3-(1,2,3,6-tetrahydropyridin-4-yl)-6-(trifluoromethyl)-7,7a-dihydro-1H-indole?
3-(1,2,3,6-tetrahydropyridin-4-yl)-6-(trifluoromethyl)-7,7a-dihydro-1H-indole has a molecular weight of 268.28 g/mol, XLogP of 2.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,6-tetrahydropyridin-4-yl)-6-(trifluoromethyl)-7,7a-dihydro-1H-indole is sourced from PubChem (CID 144855036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).