2,5-dimethyl-3-propyl-7-(trifluoromethyl)-3,4,5,6-tetrahydroquinoline

C15H20F3N — CID 155258780

IUPAC2,5-dimethyl-3-propyl-7-(trifluoromethyl)-3,4,5,6-tetrahydroquinoline
SMILESCCCC1CC2=C(C=C(C(F)(F)F)CC2C)N=C1C
InChIInChI=1S/C15H20F3N/c1-4-5-11-7-13-9(2)6-12(15(16,17)18)8-14(13)19-10(11)3/h8-9,11H,4-7H2,1-3H3
InChIKeyDIETUYRUSFFPCA-UHFFFAOYSA-N
MW271.33 g/mol
LogP5.05
Rot. Bonds2

About 2,5-dimethyl-3-propyl-7-(trifluoromethyl)-3,4,5,6-tetrahydroquinoline

2,5-dimethyl-3-propyl-7-(trifluoromethyl)-3,4,5,6-tetrahydroquinoline (PubChem CID 155258780) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is 2,5-dimethyl-3-propyl-7-(trifluoromethyl)-3,4,5,6-tetrahydroquinoline.

Molecular Properties

Compound Name2,5-dimethyl-3-propyl-7-(trifluoromethyl)-3,4,5,6-tetrahydroquinoline
PubChem CID155258780
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name2,5-dimethyl-3-propyl-7-(trifluoromethyl)-3,4,5,6-tetrahydroquinoline
SMILESCCCC1CC2=C(C=C(C(F)(F)F)CC2C)N=C1C
InChIInChI=1S/C15H20F3N/c1-4-5-11-7-13-9(2)6-12(15(16,17)18)8-14(13)19-10(11)3/h8-9,11H,4-7H2,1-3H3
InChIKeyDIETUYRUSFFPCA-UHFFFAOYSA-N
XLogP5.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.33
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-propyl-7-(trifluoromethyl)-3,4,5,6-tetrahydroquinoline?
The IUPAC name of 2,5-dimethyl-3-propyl-7-(trifluoromethyl)-3,4,5,6-tetrahydroquinoline (CID 155258780) is 2,5-dimethyl-3-propyl-7-(trifluoromethyl)-3,4,5,6-tetrahydroquinoline.
What is the SMILES notation for 2,5-dimethyl-3-propyl-7-(trifluoromethyl)-3,4,5,6-tetrahydroquinoline?
The canonical SMILES for 2,5-dimethyl-3-propyl-7-(trifluoromethyl)-3,4,5,6-tetrahydroquinoline is CCCC1CC2=C(C=C(C(F)(F)F)CC2C)N=C1C.
What is the InChIKey of 2,5-dimethyl-3-propyl-7-(trifluoromethyl)-3,4,5,6-tetrahydroquinoline?
The InChIKey is DIETUYRUSFFPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N/c1-4-5-11-7-13-9(2)6-12(15(16,17)18)8-14(13)19-10(11)3/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 2,5-dimethyl-3-propyl-7-(trifluoromethyl)-3,4,5,6-tetrahydroquinoline?
2,5-dimethyl-3-propyl-7-(trifluoromethyl)-3,4,5,6-tetrahydroquinoline has a molecular weight of 271.33 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-propyl-7-(trifluoromethyl)-3,4,5,6-tetrahydroquinoline is sourced from PubChem (CID 155258780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).