fluoro 1-methyl-3,4-dihydro-2H-quinoline-6-carboxylate

C11H12FNO2 — CID 142338422

IUPACfluoro 1-methyl-3,4-dihydro-2H-quinoline-6-carboxylate
SMILESCN1CCCc2cc(C(=O)OF)ccc21
InChIInChI=1S/C11H12FNO2/c1-13-6-2-3-8-7-9(11(14)15-12)4-5-10(8)13/h4-5,7H,2-3,6H2,1H3
InChIKeyZMLJWRNTRULQNO-UHFFFAOYSA-N
MW209.22 g/mol
LogP2.11
Rot. Bonds1

About fluoro 1-methyl-3,4-dihydro-2H-quinoline-6-carboxylate

fluoro 1-methyl-3,4-dihydro-2H-quinoline-6-carboxylate (PubChem CID 142338422) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is fluoro 1-methyl-3,4-dihydro-2H-quinoline-6-carboxylate.

Molecular Properties

Compound Namefluoro 1-methyl-3,4-dihydro-2H-quinoline-6-carboxylate
PubChem CID142338422
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Namefluoro 1-methyl-3,4-dihydro-2H-quinoline-6-carboxylate
SMILESCN1CCCc2cc(C(=O)OF)ccc21
InChIInChI=1S/C11H12FNO2/c1-13-6-2-3-8-7-9(11(14)15-12)4-5-10(8)13/h4-5,7H,2-3,6H2,1H3
InChIKeyZMLJWRNTRULQNO-UHFFFAOYSA-N
XLogP2.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of fluoro 1-methyl-3,4-dihydro-2H-quinoline-6-carboxylate?
The IUPAC name of fluoro 1-methyl-3,4-dihydro-2H-quinoline-6-carboxylate (CID 142338422) is fluoro 1-methyl-3,4-dihydro-2H-quinoline-6-carboxylate.
What is the SMILES notation for fluoro 1-methyl-3,4-dihydro-2H-quinoline-6-carboxylate?
The canonical SMILES for fluoro 1-methyl-3,4-dihydro-2H-quinoline-6-carboxylate is CN1CCCc2cc(C(=O)OF)ccc21.
What is the InChIKey of fluoro 1-methyl-3,4-dihydro-2H-quinoline-6-carboxylate?
The InChIKey is ZMLJWRNTRULQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-13-6-2-3-8-7-9(11(14)15-12)4-5-10(8)13/h4-5,7H,2-3,6H2,1H3.
What are the key properties of fluoro 1-methyl-3,4-dihydro-2H-quinoline-6-carboxylate?
fluoro 1-methyl-3,4-dihydro-2H-quinoline-6-carboxylate has a molecular weight of 209.22 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 1-methyl-3,4-dihydro-2H-quinoline-6-carboxylate is sourced from PubChem (CID 142338422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).