methyl 7-(trifluoromethoxy)-1,2-dihydroquinoline-3-carboxylate

C12H10F3NO3 — CID 170168536

IUPACmethyl 7-(trifluoromethoxy)-1,2-dihydroquinoline-3-carboxylate
SMILESCOC(=O)C1=Cc2ccc(OC(F)(F)F)cc2NC1
InChIInChI=1S/C12H10F3NO3/c1-18-11(17)8-4-7-2-3-9(19-12(13,14)15)5-10(7)16-6-8/h2-5,16H,6H2,1H3
InChIKeyVZNASUWQABVGEW-UHFFFAOYSA-N
MW273.21 g/mol
LogP2.57
Rot. Bonds2

About methyl 7-(trifluoromethoxy)-1,2-dihydroquinoline-3-carboxylate

methyl 7-(trifluoromethoxy)-1,2-dihydroquinoline-3-carboxylate (PubChem CID 170168536) has the molecular formula C12H10F3NO3 and a molecular weight of 273.21 g/mol. Its IUPAC name is methyl 7-(trifluoromethoxy)-1,2-dihydroquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-(trifluoromethoxy)-1,2-dihydroquinoline-3-carboxylate
PubChem CID170168536
Molecular FormulaC12H10F3NO3
Molecular Weight273.21 g/mol
Exact Mass273.06
IUPAC Namemethyl 7-(trifluoromethoxy)-1,2-dihydroquinoline-3-carboxylate
SMILESCOC(=O)C1=Cc2ccc(OC(F)(F)F)cc2NC1
InChIInChI=1S/C12H10F3NO3/c1-18-11(17)8-4-7-2-3-9(19-12(13,14)15)5-10(7)16-6-8/h2-5,16H,6H2,1H3
InChIKeyVZNASUWQABVGEW-UHFFFAOYSA-N
XLogP2.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-sulfanyl-4-(trifluoromethoxy)benzoate
CID 170999373
methyl 2-[2-ethyl-4-(trifluoromethoxy)phenyl]acetate
CID 170999181
methyl 2-propoxy-4-(trifluoromethoxy)benzoate
CID 162583007
methyl 2-[2-ethoxy-5-(trifluoromethoxy)phenyl]acetate
CID 170998049
methyl 2-[2-methoxy-5-(trifluoromethoxy)phenyl]acetate
CID 170997187
methyl 2-propan-2-yl-5-(trifluoromethoxy)benzoate
CID 18925610
methyl 7-(trifluoromethoxy)quinoline-4-carboxylate
CID 53418982
methyl 7-(4-propoxyphenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxylate
CID 22328960
5-(trifluoromethoxy)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylic acid
CID 118195749
methyl 2-[2-sulfanyl-5-(trifluoromethoxy)phenyl]acetate
CID 170999391
methyl 2-[2-iodo-4-(trifluoromethoxy)phenyl]acetate
CID 170998361
dimethyl 5-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]benzene-1,3-dicarboxylate
CID 30855027

Frequently Asked Questions

What is the IUPAC name of methyl 7-(trifluoromethoxy)-1,2-dihydroquinoline-3-carboxylate?
The IUPAC name of methyl 7-(trifluoromethoxy)-1,2-dihydroquinoline-3-carboxylate (CID 170168536) is methyl 7-(trifluoromethoxy)-1,2-dihydroquinoline-3-carboxylate.
What is the SMILES notation for methyl 7-(trifluoromethoxy)-1,2-dihydroquinoline-3-carboxylate?
The canonical SMILES for methyl 7-(trifluoromethoxy)-1,2-dihydroquinoline-3-carboxylate is COC(=O)C1=Cc2ccc(OC(F)(F)F)cc2NC1.
What is the InChIKey of methyl 7-(trifluoromethoxy)-1,2-dihydroquinoline-3-carboxylate?
The InChIKey is VZNASUWQABVGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO3/c1-18-11(17)8-4-7-2-3-9(19-12(13,14)15)5-10(7)16-6-8/h2-5,16H,6H2,1H3.
What are the key properties of methyl 7-(trifluoromethoxy)-1,2-dihydroquinoline-3-carboxylate?
methyl 7-(trifluoromethoxy)-1,2-dihydroquinoline-3-carboxylate has a molecular weight of 273.21 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(trifluoromethoxy)-1,2-dihydroquinoline-3-carboxylate is sourced from PubChem (CID 170168536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).