(2S)-2-ethyl-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline

C12H14F3N — CID 67764160

IUPAC(2S)-2-ethyl-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
SMILESCC[C@H]1CCc2ccc(C(F)(F)F)cc2N1
InChIInChI=1S/C12H14F3N/c1-2-10-6-4-8-3-5-9(12(13,14)15)7-11(8)16-10/h3,5,7,10,16H,2,4,6H2,1H3/t10-/m0/s1
InChIKeyVQYCPVTZEUASMB-JTQLQIEISA-N
MW229.24 g/mol
LogP3.84
Rot. Bonds1

About (2S)-2-ethyl-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline

(2S)-2-ethyl-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 67764160) has the molecular formula C12H14F3N and a molecular weight of 229.24 g/mol. Its IUPAC name is (2S)-2-ethyl-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name(2S)-2-ethyl-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
PubChem CID67764160
Molecular FormulaC12H14F3N
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name(2S)-2-ethyl-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
SMILESCC[C@H]1CCc2ccc(C(F)(F)F)cc2N1
InChIInChI=1S/C12H14F3N/c1-2-10-6-4-8-3-5-9(12(13,14)15)7-11(8)16-10/h3,5,7,10,16H,2,4,6H2,1H3/t10-/m0/s1
InChIKeyVQYCPVTZEUASMB-JTQLQIEISA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of (2S)-2-ethyl-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline (CID 67764160) is (2S)-2-ethyl-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for (2S)-2-ethyl-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for (2S)-2-ethyl-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline is CC[C@H]1CCc2ccc(C(F)(F)F)cc2N1.
What is the InChIKey of (2S)-2-ethyl-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is VQYCPVTZEUASMB-JTQLQIEISA-N. The full InChI is InChI=1S/C12H14F3N/c1-2-10-6-4-8-3-5-9(12(13,14)15)7-11(8)16-10/h3,5,7,10,16H,2,4,6H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-2-ethyl-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
(2S)-2-ethyl-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 229.24 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 67764160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).