2-ethyl-8-fluoro-2-methyl-3,4-dihydro-1H-quinoline

C12H16FN — CID 84720107

IUPAC2-ethyl-8-fluoro-2-methyl-3,4-dihydro-1H-quinoline
SMILESCCC1(C)CCc2cccc(F)c2N1
InChIInChI=1S/C12H16FN/c1-3-12(2)8-7-9-5-4-6-10(13)11(9)14-12/h4-6,14H,3,7-8H2,1-2H3
InChIKeyDWPZBIULRQJDQR-UHFFFAOYSA-N
MW193.27 g/mol
LogP3.35
Rot. Bonds1

About 2-ethyl-8-fluoro-2-methyl-3,4-dihydro-1H-quinoline

2-ethyl-8-fluoro-2-methyl-3,4-dihydro-1H-quinoline (PubChem CID 84720107) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-ethyl-8-fluoro-2-methyl-3,4-dihydro-1H-quinoline.

Molecular Properties

Compound Name2-ethyl-8-fluoro-2-methyl-3,4-dihydro-1H-quinoline
PubChem CID84720107
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC Name2-ethyl-8-fluoro-2-methyl-3,4-dihydro-1H-quinoline
SMILESCCC1(C)CCc2cccc(F)c2N1
InChIInChI=1S/C12H16FN/c1-3-12(2)8-7-9-5-4-6-10(13)11(9)14-12/h4-6,14H,3,7-8H2,1-2H3
InChIKeyDWPZBIULRQJDQR-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8-fluoro-2-methyl-3,4-dihydro-1H-quinoline?
The IUPAC name of 2-ethyl-8-fluoro-2-methyl-3,4-dihydro-1H-quinoline (CID 84720107) is 2-ethyl-8-fluoro-2-methyl-3,4-dihydro-1H-quinoline.
What is the SMILES notation for 2-ethyl-8-fluoro-2-methyl-3,4-dihydro-1H-quinoline?
The canonical SMILES for 2-ethyl-8-fluoro-2-methyl-3,4-dihydro-1H-quinoline is CCC1(C)CCc2cccc(F)c2N1.
What is the InChIKey of 2-ethyl-8-fluoro-2-methyl-3,4-dihydro-1H-quinoline?
The InChIKey is DWPZBIULRQJDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-3-12(2)8-7-9-5-4-6-10(13)11(9)14-12/h4-6,14H,3,7-8H2,1-2H3.
What are the key properties of 2-ethyl-8-fluoro-2-methyl-3,4-dihydro-1H-quinoline?
2-ethyl-8-fluoro-2-methyl-3,4-dihydro-1H-quinoline has a molecular weight of 193.27 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-8-fluoro-2-methyl-3,4-dihydro-1H-quinoline is sourced from PubChem (CID 84720107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).