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

C14H18F3N — CID 162619407

IUPAC(3R)-3-ethyl-2,5-dimethyl-7-(trifluoromethyl)-3,4,5,6-tetrahydroquinoline
SMILESCC[C@@H]1CC2=C(C=C(C(F)(F)F)CC2C)N=C1C
InChIInChI=1S/C14H18F3N/c1-4-10-6-12-8(2)5-11(14(15,16)17)7-13(12)18-9(10)3/h7-8,10H,4-6H2,1-3H3/t8?,10-/m1/s1
InChIKeyIOPIEUHMWFXXSO-LHIURRSHSA-N
MW257.30 g/mol
LogP4.66
Rot. Bonds1

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

(3R)-3-ethyl-2,5-dimethyl-7-(trifluoromethyl)-3,4,5,6-tetrahydroquinoline (PubChem CID 162619407) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is (3R)-3-ethyl-2,5-dimethyl-7-(trifluoromethyl)-3,4,5,6-tetrahydroquinoline.

Molecular Properties

Compound Name(3R)-3-ethyl-2,5-dimethyl-7-(trifluoromethyl)-3,4,5,6-tetrahydroquinoline
PubChem CID162619407
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name(3R)-3-ethyl-2,5-dimethyl-7-(trifluoromethyl)-3,4,5,6-tetrahydroquinoline
SMILESCC[C@@H]1CC2=C(C=C(C(F)(F)F)CC2C)N=C1C
InChIInChI=1S/C14H18F3N/c1-4-10-6-12-8(2)5-11(14(15,16)17)7-13(12)18-9(10)3/h7-8,10H,4-6H2,1-3H3/t8?,10-/m1/s1
InChIKeyIOPIEUHMWFXXSO-LHIURRSHSA-N
XLogP4.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-2,5-dimethyl-7-(trifluoromethyl)-3,4,5,6-tetrahydroquinoline?
The IUPAC name of (3R)-3-ethyl-2,5-dimethyl-7-(trifluoromethyl)-3,4,5,6-tetrahydroquinoline (CID 162619407) is (3R)-3-ethyl-2,5-dimethyl-7-(trifluoromethyl)-3,4,5,6-tetrahydroquinoline.
What is the SMILES notation for (3R)-3-ethyl-2,5-dimethyl-7-(trifluoromethyl)-3,4,5,6-tetrahydroquinoline?
The canonical SMILES for (3R)-3-ethyl-2,5-dimethyl-7-(trifluoromethyl)-3,4,5,6-tetrahydroquinoline is CC[C@@H]1CC2=C(C=C(C(F)(F)F)CC2C)N=C1C.
What is the InChIKey of (3R)-3-ethyl-2,5-dimethyl-7-(trifluoromethyl)-3,4,5,6-tetrahydroquinoline?
The InChIKey is IOPIEUHMWFXXSO-LHIURRSHSA-N. The full InChI is InChI=1S/C14H18F3N/c1-4-10-6-12-8(2)5-11(14(15,16)17)7-13(12)18-9(10)3/h7-8,10H,4-6H2,1-3H3/t8?,10-/m1/s1.
What are the key properties of (3R)-3-ethyl-2,5-dimethyl-7-(trifluoromethyl)-3,4,5,6-tetrahydroquinoline?
(3R)-3-ethyl-2,5-dimethyl-7-(trifluoromethyl)-3,4,5,6-tetrahydroquinoline has a molecular weight of 257.30 g/mol, XLogP of 4.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-2,5-dimethyl-7-(trifluoromethyl)-3,4,5,6-tetrahydroquinoline is sourced from PubChem (CID 162619407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).