3-fluoro-5-propyl-1,2,3,4-tetrahydropyridine

C8H14FN — CID 135244622

IUPAC3-fluoro-5-propyl-1,2,3,4-tetrahydropyridine
SMILESCCCC1=CNCC(F)C1
InChIInChI=1S/C8H14FN/c1-2-3-7-4-8(9)6-10-5-7/h5,8,10H,2-4,6H2,1H3
InChIKeyYPWLXRCMOOFPMU-UHFFFAOYSA-N
MW143.20 g/mol
LogP2.00
Rot. Bonds2

About 3-fluoro-5-propyl-1,2,3,4-tetrahydropyridine

3-fluoro-5-propyl-1,2,3,4-tetrahydropyridine (PubChem CID 135244622) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is 3-fluoro-5-propyl-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name3-fluoro-5-propyl-1,2,3,4-tetrahydropyridine
PubChem CID135244622
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC Name3-fluoro-5-propyl-1,2,3,4-tetrahydropyridine
SMILESCCCC1=CNCC(F)C1
InChIInChI=1S/C8H14FN/c1-2-3-7-4-8(9)6-10-5-7/h5,8,10H,2-4,6H2,1H3
InChIKeyYPWLXRCMOOFPMU-UHFFFAOYSA-N
XLogP2.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.20
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-propyl-1,2,3,4-tetrahydropyridine?
The IUPAC name of 3-fluoro-5-propyl-1,2,3,4-tetrahydropyridine (CID 135244622) is 3-fluoro-5-propyl-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 3-fluoro-5-propyl-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 3-fluoro-5-propyl-1,2,3,4-tetrahydropyridine is CCCC1=CNCC(F)C1.
What is the InChIKey of 3-fluoro-5-propyl-1,2,3,4-tetrahydropyridine?
The InChIKey is YPWLXRCMOOFPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN/c1-2-3-7-4-8(9)6-10-5-7/h5,8,10H,2-4,6H2,1H3.
What are the key properties of 3-fluoro-5-propyl-1,2,3,4-tetrahydropyridine?
3-fluoro-5-propyl-1,2,3,4-tetrahydropyridine has a molecular weight of 143.20 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-propyl-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 135244622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).