8-fluoro-5-methyl-3-propyl-1,2,3,4-tetrahydroquinoline

C13H18FN — CID 63386235

IUPAC8-fluoro-5-methyl-3-propyl-1,2,3,4-tetrahydroquinoline
SMILESCCCC1CNc2c(F)ccc(C)c2C1
InChIInChI=1S/C13H18FN/c1-3-4-10-7-11-9(2)5-6-12(14)13(11)15-8-10/h5-6,10,15H,3-4,7-8H2,1-2H3
InChIKeyCODBFJSYNYMNBX-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.52
Rot. Bonds2

About 8-fluoro-5-methyl-3-propyl-1,2,3,4-tetrahydroquinoline

8-fluoro-5-methyl-3-propyl-1,2,3,4-tetrahydroquinoline (PubChem CID 63386235) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 8-fluoro-5-methyl-3-propyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-fluoro-5-methyl-3-propyl-1,2,3,4-tetrahydroquinoline
PubChem CID63386235
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name8-fluoro-5-methyl-3-propyl-1,2,3,4-tetrahydroquinoline
SMILESCCCC1CNc2c(F)ccc(C)c2C1
InChIInChI=1S/C13H18FN/c1-3-4-10-7-11-9(2)5-6-12(14)13(11)15-8-10/h5-6,10,15H,3-4,7-8H2,1-2H3
InChIKeyCODBFJSYNYMNBX-UHFFFAOYSA-N
XLogP3.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-5-methyl-3-propyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-fluoro-5-methyl-3-propyl-1,2,3,4-tetrahydroquinoline (CID 63386235) is 8-fluoro-5-methyl-3-propyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-fluoro-5-methyl-3-propyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-fluoro-5-methyl-3-propyl-1,2,3,4-tetrahydroquinoline is CCCC1CNc2c(F)ccc(C)c2C1.
What is the InChIKey of 8-fluoro-5-methyl-3-propyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is CODBFJSYNYMNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-3-4-10-7-11-9(2)5-6-12(14)13(11)15-8-10/h5-6,10,15H,3-4,7-8H2,1-2H3.
What are the key properties of 8-fluoro-5-methyl-3-propyl-1,2,3,4-tetrahydroquinoline?
8-fluoro-5-methyl-3-propyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 207.29 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-5-methyl-3-propyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 63386235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).