1-(2-fluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine

C8H14FN — CID 88589110

IUPAC1-(2-fluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine
SMILESCC1=CCN(CCF)CC1
InChIInChI=1S/C8H14FN/c1-8-2-5-10(6-3-8)7-4-9/h2H,3-7H2,1H3
InChIKeySVTOWINUTAPFKL-UHFFFAOYSA-N
MW143.20 g/mol
LogP1.61
Rot. Bonds2

About 1-(2-fluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine

1-(2-fluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine (PubChem CID 88589110) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine
PubChem CID88589110
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC Name1-(2-fluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine
SMILESCC1=CCN(CCF)CC1
InChIInChI=1S/C8H14FN/c1-8-2-5-10(6-3-8)7-4-9/h2H,3-7H2,1H3
InChIKeySVTOWINUTAPFKL-UHFFFAOYSA-N
XLogP1.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.20
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(2-fluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine (CID 88589110) is 1-(2-fluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(2-fluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(2-fluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine is CC1=CCN(CCF)CC1.
What is the InChIKey of 1-(2-fluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is SVTOWINUTAPFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN/c1-8-2-5-10(6-3-8)7-4-9/h2H,3-7H2,1H3.
What are the key properties of 1-(2-fluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine?
1-(2-fluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 143.20 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 88589110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).