propan-2-yl 7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate

C14H16F3NO2 — CID 141019708

IUPACpropan-2-yl 7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCC(C)OC(=O)N1CCCc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C14H16F3NO2/c1-9(2)20-13(19)18-7-3-4-10-5-6-11(8-12(10)18)14(15,16)17/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyRCLOAMVOKNXAEG-UHFFFAOYSA-N
MW287.28 g/mol
LogP4.00
Rot. Bonds1

About propan-2-yl 7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate

propan-2-yl 7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate (PubChem CID 141019708) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is propan-2-yl 7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
PubChem CID141019708
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Namepropan-2-yl 7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCC(C)OC(=O)N1CCCc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C14H16F3NO2/c1-9(2)20-13(19)18-7-3-4-10-5-6-11(8-12(10)18)14(15,16)17/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyRCLOAMVOKNXAEG-UHFFFAOYSA-N
XLogP4.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

propan-2-yl 4-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 143173742
1-[8-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]pentan-1-one
CID 141161915
(3-methyl-2H-imidazol-1-yl)-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 22047853
(3-methyl-2H-imidazol-1-yl)-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone;hydroiodide
CID 175238221
(5-bromo-2-hydroxyphenyl)-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 10092366
propan-2-yl 2-amino-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 143173752
2-bromo-2-(4-chlorophenyl)-1-[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
CID 131964335
tert-butyl 7-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 59556816
ethane;1-ethyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline
CID 143643900
ethane;1-ethyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline
CID 143643842
tert-butyl 7-(1,1-difluoropropan-2-ylamino)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 107248618
tert-butyl 7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 72710357

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate?
The IUPAC name of propan-2-yl 7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate (CID 141019708) is propan-2-yl 7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate.
What is the SMILES notation for propan-2-yl 7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate?
The canonical SMILES for propan-2-yl 7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate is CC(C)OC(=O)N1CCCc2ccc(C(F)(F)F)cc21.
What is the InChIKey of propan-2-yl 7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate?
The InChIKey is RCLOAMVOKNXAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c1-9(2)20-13(19)18-7-3-4-10-5-6-11(8-12(10)18)14(15,16)17/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of propan-2-yl 7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate?
propan-2-yl 7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate has a molecular weight of 287.28 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate is sourced from PubChem (CID 141019708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).