2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,3-dihydro-1H-indole

C15H17F3N2 — CID 114490261

IUPAC2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,3-dihydro-1H-indole
SMILESFC(F)(F)C1=CCN(CC2Cc3ccccc3N2)CC1
InChIInChI=1S/C15H17F3N2/c16-15(17,18)12-5-7-20(8-6-12)10-13-9-11-3-1-2-4-14(11)19-13/h1-5,13,19H,6-10H2
InChIKeyQSQBUSZYAOHOQE-UHFFFAOYSA-N
MW282.31 g/mol
LogP3.22
Rot. Bonds2

About 2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,3-dihydro-1H-indole

2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,3-dihydro-1H-indole (PubChem CID 114490261) has the molecular formula C15H17F3N2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,3-dihydro-1H-indole
PubChem CID114490261
Molecular FormulaC15H17F3N2
Molecular Weight282.31 g/mol
Exact Mass282.13
IUPAC Name2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,3-dihydro-1H-indole
SMILESFC(F)(F)C1=CCN(CC2Cc3ccccc3N2)CC1
InChIInChI=1S/C15H17F3N2/c16-15(17,18)12-5-7-20(8-6-12)10-13-9-11-3-1-2-4-14(11)19-13/h1-5,13,19H,6-10H2
InChIKeyQSQBUSZYAOHOQE-UHFFFAOYSA-N
XLogP3.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 114489982
4-(2,3-dihydro-1H-indol-2-ylmethyl)-2,6-dimethylthiomorpholine
CID 80567467
1-[(4-ethylpiperidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 114490142
3-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2,3-dihydro-1H-indole
CID 114490137
2-(2,3-dihydro-1H-indol-2-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 80567993
2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 80567466
[2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]methanamine
CID 114489683
[(2S)-2,3-dihydro-1H-indol-2-yl]methanamine
CID 82667971
(2S)-2-(iodomethyl)-2,3-dihydro-1H-indole
CID 26338665
2-(2,3-dihydro-1H-indol-2-yl)ethanamine;dihydrochloride
CID 165454907
(2R)-2-prop-2-enyl-2,3-dihydro-1H-indole
CID 1380957
(2R)-2-benzyl-2,3-dihydro-1H-indole
CID 71608217

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,3-dihydro-1H-indole?
The IUPAC name of 2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,3-dihydro-1H-indole (CID 114490261) is 2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,3-dihydro-1H-indole is FC(F)(F)C1=CCN(CC2Cc3ccccc3N2)CC1.
What is the InChIKey of 2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,3-dihydro-1H-indole?
The InChIKey is QSQBUSZYAOHOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2/c16-15(17,18)12-5-7-20(8-6-12)10-13-9-11-3-1-2-4-14(11)19-13/h1-5,13,19H,6-10H2.
What are the key properties of 2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,3-dihydro-1H-indole?
2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,3-dihydro-1H-indole has a molecular weight of 282.31 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 114490261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).