ethane;6-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline

C13H18F3N — CID 142872828

IUPACethane;6-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
SMILESCC.Cc1cc2c(cc1C(F)(F)F)NCCC2
InChIInChI=1S/C11H12F3N.C2H6/c1-7-5-8-3-2-4-15-10(8)6-9(7)11(12,13)14;1-2/h5-6,15H,2-4H2,1H3;1-2H3
InChIKeyHOBOMIKYLLXDAF-UHFFFAOYSA-N
MW245.29 g/mol
LogP4.40
Rot. Bonds

About ethane;6-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline

ethane;6-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 142872828) has the molecular formula C13H18F3N and a molecular weight of 245.29 g/mol. Its IUPAC name is ethane;6-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Nameethane;6-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
PubChem CID142872828
Molecular FormulaC13H18F3N
Molecular Weight245.29 g/mol
Exact Mass245.14
IUPAC Nameethane;6-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
SMILESCC.Cc1cc2c(cc1C(F)(F)F)NCCC2
InChIInChI=1S/C11H12F3N.C2H6/c1-7-5-8-3-2-4-15-10(8)6-9(7)11(12,13)14;1-2/h5-6,15H,2-4H2,1H3;1-2H3
InChIKeyHOBOMIKYLLXDAF-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-Methyl-1,2,3,4-tetrahydroquinoline
CID 66678
1,2,3,4-Tetrahydro-4-methylquinoline
CID 86854
2,2,4,7-Tetramethyl-1,2,3,4-tetrahydroquinoline
CID 101035
2,3,4,4a,5,6-Hexahydro-9-(trifluoromethyl)-1H-pyrazino(1,2-a)quinoline
CID 125957
2,2,4,6,7-Pentamethyl-1,2-dihydroquinoline
CID 647805
7-Methyl-1,2,3,4-tetrahydroquinoline
CID 458680
6-(Trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 12647571
1-(1-Methyl-1,2,3,4-tetrahydroquinolin-6-YL)methanamine
CID 1112172
2,4,7,8-Tetramethyl-1,2,3,4-tetrahydroquinoline hydrochloride
CID 6602717
8-fluoro-2,2-dimethyl-6-(trifluoromethyl)-3,4,8,9-tetrahydro-1H-pyrido[3,2-g]quinoline
CID 155554274
4-[[4-(2-aminoethyl)-2-methylphenyl]methyl]-N-ethyl-2-propan-2-ylaniline
CID 162644264
(4aR)-7-(3,3,3-trifluoropropyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
CID 162656505

Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of ethane;6-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline (CID 142872828) is ethane;6-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for ethane;6-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for ethane;6-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline is CC.Cc1cc2c(cc1C(F)(F)F)NCCC2.
What is the InChIKey of ethane;6-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is HOBOMIKYLLXDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N.C2H6/c1-7-5-8-3-2-4-15-10(8)6-9(7)11(12,13)14;1-2/h5-6,15H,2-4H2,1H3;1-2H3.
What are the key properties of ethane;6-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
ethane;6-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 245.29 g/mol, XLogP of 4.40, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 142872828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).