8-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-1,2,3,4-tetrahydroquinoline

C16H15F3N2 — CID 102708769

IUPAC8-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-1,2,3,4-tetrahydroquinoline
SMILESFC(F)(F)c1ccncc1Cc1cccc2c1NCCC2
InChIInChI=1S/C16H15F3N2/c17-16(18,19)14-6-8-20-10-13(14)9-12-4-1-3-11-5-2-7-21-15(11)12/h1,3-4,6,8,10,21H,2,5,7,9H2
InChIKeyKGGUPSFBUAJQCC-UHFFFAOYSA-N
MW292.30 g/mol
LogP4.05
Rot. Bonds2

About 8-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-1,2,3,4-tetrahydroquinoline

8-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 102708769) has the molecular formula C16H15F3N2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 8-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-1,2,3,4-tetrahydroquinoline
PubChem CID102708769
Molecular FormulaC16H15F3N2
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Name8-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-1,2,3,4-tetrahydroquinoline
SMILESFC(F)(F)c1ccncc1Cc1cccc2c1NCCC2
InChIInChI=1S/C16H15F3N2/c17-16(18,19)14-6-8-20-10-13(14)9-12-4-1-3-11-5-2-7-21-15(11)12/h1,3-4,6,8,10,21H,2,5,7,9H2
InChIKeyKGGUPSFBUAJQCC-UHFFFAOYSA-N
XLogP4.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-1,2,3,4-tetrahydroquinoline (CID 102708769) is 8-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-1,2,3,4-tetrahydroquinoline is FC(F)(F)c1ccncc1Cc1cccc2c1NCCC2.
What is the InChIKey of 8-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is KGGUPSFBUAJQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2/c17-16(18,19)14-6-8-20-10-13(14)9-12-4-1-3-11-5-2-7-21-15(11)12/h1,3-4,6,8,10,21H,2,5,7,9H2.
What are the key properties of 8-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-1,2,3,4-tetrahydroquinoline?
8-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 292.30 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 102708769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).