(2S)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline

C12H14F3N — CID 142935353

IUPAC(2S)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
SMILESCC[C@H]1CCc2cc(C(F)(F)F)ccc2N1
InChIInChI=1S/C12H14F3N/c1-2-10-5-3-8-7-9(12(13,14)15)4-6-11(8)16-10/h4,6-7,10,16H,2-3,5H2,1H3/t10-/m0/s1
InChIKeyMZFZPWUMTHJFRA-JTQLQIEISA-N
MW229.24 g/mol
LogP3.84
Rot. Bonds1

About (2S)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline

(2S)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 142935353) has the molecular formula C12H14F3N and a molecular weight of 229.24 g/mol. Its IUPAC name is (2S)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name(2S)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
PubChem CID142935353
Molecular FormulaC12H14F3N
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name(2S)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
SMILESCC[C@H]1CCc2cc(C(F)(F)F)ccc2N1
InChIInChI=1S/C12H14F3N/c1-2-10-5-3-8-7-9(12(13,14)15)4-6-11(8)16-10/h4,6-7,10,16H,2-3,5H2,1H3/t10-/m0/s1
InChIKeyMZFZPWUMTHJFRA-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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Related Compounds

(2S)-2-ethyl-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 67764160
N-[[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]propan-1-amine
CID 22735274
(2-ethyl-1,2,3,4-tetrahydroquinolin-6-yl)chloranium
CID 163552532
(2S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline
CID 131025344
1-(6-tert-butyl-1,2,3,4-tetrahydroquinolin-2-yl)-N,N-dimethylmethanamine
CID 84632624
(2S)-2-(4-methoxyphenyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 102598226
N-[(2R,4S)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]formamide
CID 118871730
[2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamic acid
CID 22394216
N-ethyl-3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine
CID 14502067
1-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 83354458
N-methyl-1-[6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]methanamine
CID 117202732
2-(4-ethoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 4657850

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of (2S)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline (CID 142935353) is (2S)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for (2S)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for (2S)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline is CC[C@H]1CCc2cc(C(F)(F)F)ccc2N1.
What is the InChIKey of (2S)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is MZFZPWUMTHJFRA-JTQLQIEISA-N. The full InChI is InChI=1S/C12H14F3N/c1-2-10-5-3-8-7-9(12(13,14)15)4-6-11(8)16-10/h4,6-7,10,16H,2-3,5H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
(2S)-2-ethyl-6-(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-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 142935353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).