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

C14H18F3N — CID 162619416

IUPAC(4R)-2-methyl-4-propyl-7-(trifluoromethyl)-3,4,5,6-tetrahydroquinoline
SMILESCCC[C@@H]1CC(C)=NC2=C1CCC(C(F)(F)F)=C2
InChIInChI=1S/C14H18F3N/c1-3-4-10-7-9(2)18-13-8-11(14(15,16)17)5-6-12(10)13/h8,10H,3-7H2,1-2H3/t10-/m1/s1
InChIKeyWLYLKFFGUQYFCZ-SNVBAGLBSA-N
MW257.30 g/mol
LogP4.80
Rot. Bonds2

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

(4R)-2-methyl-4-propyl-7-(trifluoromethyl)-3,4,5,6-tetrahydroquinoline (PubChem CID 162619416) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is (4R)-2-methyl-4-propyl-7-(trifluoromethyl)-3,4,5,6-tetrahydroquinoline.

Molecular Properties

Compound Name(4R)-2-methyl-4-propyl-7-(trifluoromethyl)-3,4,5,6-tetrahydroquinoline
PubChem CID162619416
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name(4R)-2-methyl-4-propyl-7-(trifluoromethyl)-3,4,5,6-tetrahydroquinoline
SMILESCCC[C@@H]1CC(C)=NC2=C1CCC(C(F)(F)F)=C2
InChIInChI=1S/C14H18F3N/c1-3-4-10-7-9(2)18-13-8-11(14(15,16)17)5-6-12(10)13/h8,10H,3-7H2,1-2H3/t10-/m1/s1
InChIKeyWLYLKFFGUQYFCZ-SNVBAGLBSA-N
XLogP4.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-methyl-4-propyl-7-(trifluoromethyl)-3,4,5,6-tetrahydroquinoline?
The IUPAC name of (4R)-2-methyl-4-propyl-7-(trifluoromethyl)-3,4,5,6-tetrahydroquinoline (CID 162619416) is (4R)-2-methyl-4-propyl-7-(trifluoromethyl)-3,4,5,6-tetrahydroquinoline.
What is the SMILES notation for (4R)-2-methyl-4-propyl-7-(trifluoromethyl)-3,4,5,6-tetrahydroquinoline?
The canonical SMILES for (4R)-2-methyl-4-propyl-7-(trifluoromethyl)-3,4,5,6-tetrahydroquinoline is CCC[C@@H]1CC(C)=NC2=C1CCC(C(F)(F)F)=C2.
What is the InChIKey of (4R)-2-methyl-4-propyl-7-(trifluoromethyl)-3,4,5,6-tetrahydroquinoline?
The InChIKey is WLYLKFFGUQYFCZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18F3N/c1-3-4-10-7-9(2)18-13-8-11(14(15,16)17)5-6-12(10)13/h8,10H,3-7H2,1-2H3/t10-/m1/s1.
What are the key properties of (4R)-2-methyl-4-propyl-7-(trifluoromethyl)-3,4,5,6-tetrahydroquinoline?
(4R)-2-methyl-4-propyl-7-(trifluoromethyl)-3,4,5,6-tetrahydroquinoline has a molecular weight of 257.30 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-methyl-4-propyl-7-(trifluoromethyl)-3,4,5,6-tetrahydroquinoline is sourced from PubChem (CID 162619416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).