(2R,4R)-1-ethyl-4-phenyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinoline

C18H18F3N — CID 11779857

IUPAC(2R,4R)-1-ethyl-4-phenyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinoline
SMILESCCN1c2ccccc2[C@@H](c2ccccc2)C[C@@H]1C(F)(F)F
InChIInChI=1S/C18H18F3N/c1-2-22-16-11-7-6-10-14(16)15(12-17(22)18(19,20)21)13-8-4-3-5-9-13/h3-11,15,17H,2,12H2,1H3/t15-,17-/m1/s1
InChIKeyDETQSVMLANDWAH-NVXWUHKLSA-N
MW305.34 g/mol
LogP4.98
Rot. Bonds2

About (2R,4R)-1-ethyl-4-phenyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinoline

(2R,4R)-1-ethyl-4-phenyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinoline (PubChem CID 11779857) has the molecular formula C18H18F3N and a molecular weight of 305.34 g/mol. Its IUPAC name is (2R,4R)-1-ethyl-4-phenyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name(2R,4R)-1-ethyl-4-phenyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinoline
PubChem CID11779857
Molecular FormulaC18H18F3N
Molecular Weight305.34 g/mol
Exact Mass305.14
IUPAC Name(2R,4R)-1-ethyl-4-phenyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinoline
SMILESCCN1c2ccccc2[C@@H](c2ccccc2)C[C@@H]1C(F)(F)F
InChIInChI=1S/C18H18F3N/c1-2-22-16-11-7-6-10-14(16)15(12-17(22)18(19,20)21)13-8-4-3-5-9-13/h3-11,15,17H,2,12H2,1H3/t15-,17-/m1/s1
InChIKeyDETQSVMLANDWAH-NVXWUHKLSA-N
XLogP4.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-ethyl-4-phenyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinoline?
The IUPAC name of (2R,4R)-1-ethyl-4-phenyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinoline (CID 11779857) is (2R,4R)-1-ethyl-4-phenyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for (2R,4R)-1-ethyl-4-phenyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for (2R,4R)-1-ethyl-4-phenyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinoline is CCN1c2ccccc2[C@@H](c2ccccc2)C[C@@H]1C(F)(F)F.
What is the InChIKey of (2R,4R)-1-ethyl-4-phenyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinoline?
The InChIKey is DETQSVMLANDWAH-NVXWUHKLSA-N. The full InChI is InChI=1S/C18H18F3N/c1-2-22-16-11-7-6-10-14(16)15(12-17(22)18(19,20)21)13-8-4-3-5-9-13/h3-11,15,17H,2,12H2,1H3/t15-,17-/m1/s1.
What are the key properties of (2R,4R)-1-ethyl-4-phenyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinoline?
(2R,4R)-1-ethyl-4-phenyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinoline has a molecular weight of 305.34 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-ethyl-4-phenyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 11779857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).