tert-butyl 2-(fluoromethoxy)-3,4-dihydro-2H-quinoline-1-carboxylate

C15H20FNO3 — CID 141019688

IUPACtert-butyl 2-(fluoromethoxy)-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCC(C)(C)OC(=O)N1c2ccccc2CCC1OCF
InChIInChI=1S/C15H20FNO3/c1-15(2,3)20-14(18)17-12-7-5-4-6-11(12)8-9-13(17)19-10-16/h4-7,13H,8-10H2,1-3H3
InChIKeyCBJSOHZXRPLGGN-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.64
Rot. Bonds2

About tert-butyl 2-(fluoromethoxy)-3,4-dihydro-2H-quinoline-1-carboxylate

tert-butyl 2-(fluoromethoxy)-3,4-dihydro-2H-quinoline-1-carboxylate (PubChem CID 141019688) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is tert-butyl 2-(fluoromethoxy)-3,4-dihydro-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(fluoromethoxy)-3,4-dihydro-2H-quinoline-1-carboxylate
PubChem CID141019688
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Nametert-butyl 2-(fluoromethoxy)-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCC(C)(C)OC(=O)N1c2ccccc2CCC1OCF
InChIInChI=1S/C15H20FNO3/c1-15(2,3)20-14(18)17-12-7-5-4-6-11(12)8-9-13(17)19-10-16/h4-7,13H,8-10H2,1-3H3
InChIKeyCBJSOHZXRPLGGN-UHFFFAOYSA-N
XLogP3.64
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-hydroxy-2,3-dihydroindole-1-carboxylate
CID 11287775
tert-butyl (2S)-2-(4-fluorophenyl)-2,3-dihydroindole-1-carboxylate
CID 11681181
1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-2-carboxylate
CID 78438994
tert-butyl 2-[2-[3-(prop-2-enoylamino)propanoylamino]ethyl]-3,4-dihydro-2H-quinoline-1-carboxylate
CID 166413377
1-O-tert-butyl 2-O-methyl (2S)-2,3-dihydroindole-1,2-dicarboxylate
CID 7169783
tert-butyl (2S)-2-(ethoxymethyl)-2,3-dihydroindole-1-carboxylate
CID 175968649
tert-butyl (2S)-2-[hydroxy(diphenyl)methyl]-2,3-dihydroindole-1-carboxylate
CID 10739815
2-bromo-2-methyl-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 116816888
tert-butyl 2-[(4-methylphenyl)sulfonyloxymethyl]-2,3-dihydroindole-1-carboxylate
CID 85217316
tert-butyl 2-(aminomethyl)-6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate
CID 122199003
tert-butyl 9H-acridine-10-carboxylate
CID 102499784
tert-butyl 2-(2,3-dihydroindol-1-ylmethyl)pyrrolidine-1-carboxylate
CID 137320652

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(fluoromethoxy)-3,4-dihydro-2H-quinoline-1-carboxylate?
The IUPAC name of tert-butyl 2-(fluoromethoxy)-3,4-dihydro-2H-quinoline-1-carboxylate (CID 141019688) is tert-butyl 2-(fluoromethoxy)-3,4-dihydro-2H-quinoline-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(fluoromethoxy)-3,4-dihydro-2H-quinoline-1-carboxylate?
The canonical SMILES for tert-butyl 2-(fluoromethoxy)-3,4-dihydro-2H-quinoline-1-carboxylate is CC(C)(C)OC(=O)N1c2ccccc2CCC1OCF.
What is the InChIKey of tert-butyl 2-(fluoromethoxy)-3,4-dihydro-2H-quinoline-1-carboxylate?
The InChIKey is CBJSOHZXRPLGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-15(2,3)20-14(18)17-12-7-5-4-6-11(12)8-9-13(17)19-10-16/h4-7,13H,8-10H2,1-3H3.
What are the key properties of tert-butyl 2-(fluoromethoxy)-3,4-dihydro-2H-quinoline-1-carboxylate?
tert-butyl 2-(fluoromethoxy)-3,4-dihydro-2H-quinoline-1-carboxylate has a molecular weight of 281.33 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(fluoromethoxy)-3,4-dihydro-2H-quinoline-1-carboxylate is sourced from PubChem (CID 141019688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).