propan-2-yl 2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylate

C14H14F3NO2 — CID 139911319

IUPACpropan-2-yl 2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylate
SMILESCC(C)OC(=O)C1=Cc2ccccc2NC1C(F)(F)F
InChIInChI=1S/C14H14F3NO2/c1-8(2)20-13(19)10-7-9-5-3-4-6-11(9)18-12(10)14(15,16)17/h3-8,12,18H,1-2H3
InChIKeyGVJIAIFKVIPVGE-UHFFFAOYSA-N
MW285.27 g/mol
LogP3.38
Rot. Bonds2

About propan-2-yl 2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylate

propan-2-yl 2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylate (PubChem CID 139911319) has the molecular formula C14H14F3NO2 and a molecular weight of 285.27 g/mol. Its IUPAC name is propan-2-yl 2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylate
PubChem CID139911319
Molecular FormulaC14H14F3NO2
Molecular Weight285.27 g/mol
Exact Mass285.10
IUPAC Namepropan-2-yl 2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylate
SMILESCC(C)OC(=O)C1=Cc2ccccc2NC1C(F)(F)F
InChIInChI=1S/C14H14F3NO2/c1-8(2)20-13(19)10-7-9-5-3-4-6-11(9)18-12(10)14(15,16)17/h3-8,12,18H,1-2H3
InChIKeyGVJIAIFKVIPVGE-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze propan-2-yl 2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylate?
The IUPAC name of propan-2-yl 2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylate (CID 139911319) is propan-2-yl 2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylate.
What is the SMILES notation for propan-2-yl 2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylate?
The canonical SMILES for propan-2-yl 2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylate is CC(C)OC(=O)C1=Cc2ccccc2NC1C(F)(F)F.
What is the InChIKey of propan-2-yl 2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylate?
The InChIKey is GVJIAIFKVIPVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO2/c1-8(2)20-13(19)10-7-9-5-3-4-6-11(9)18-12(10)14(15,16)17/h3-8,12,18H,1-2H3.
What are the key properties of propan-2-yl 2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylate?
propan-2-yl 2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylate has a molecular weight of 285.27 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylate is sourced from PubChem (CID 139911319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).