2-(fluoromethyl)-3,4-dihydropyridine

C6H8FN — CID 166907541

IUPAC2-(fluoromethyl)-3,4-dihydropyridine
SMILESFCC1=NC=CCC1
InChIInChI=1S/C6H8FN/c7-5-6-3-1-2-4-8-6/h2,4H,1,3,5H2
InChIKeyZDYYUWGCJLLZDZ-UHFFFAOYSA-N
MW113.13 g/mol
LogP1.70
Rot. Bonds1

About 2-(fluoromethyl)-3,4-dihydropyridine

2-(fluoromethyl)-3,4-dihydropyridine (PubChem CID 166907541) has the molecular formula C6H8FN and a molecular weight of 113.13 g/mol. Its IUPAC name is 2-(fluoromethyl)-3,4-dihydropyridine.

Molecular Properties

Compound Name2-(fluoromethyl)-3,4-dihydropyridine
PubChem CID166907541
Molecular FormulaC6H8FN
Molecular Weight113.13 g/mol
Exact Mass113.06
IUPAC Name2-(fluoromethyl)-3,4-dihydropyridine
SMILESFCC1=NC=CCC1
InChIInChI=1S/C6H8FN/c7-5-6-3-1-2-4-8-6/h2,4H,1,3,5H2
InChIKeyZDYYUWGCJLLZDZ-UHFFFAOYSA-N
XLogP1.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.13
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-3,4-dihydropyridine?
The IUPAC name of 2-(fluoromethyl)-3,4-dihydropyridine (CID 166907541) is 2-(fluoromethyl)-3,4-dihydropyridine.
What is the SMILES notation for 2-(fluoromethyl)-3,4-dihydropyridine?
The canonical SMILES for 2-(fluoromethyl)-3,4-dihydropyridine is FCC1=NC=CCC1.
What is the InChIKey of 2-(fluoromethyl)-3,4-dihydropyridine?
The InChIKey is ZDYYUWGCJLLZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN/c7-5-6-3-1-2-4-8-6/h2,4H,1,3,5H2.
What are the key properties of 2-(fluoromethyl)-3,4-dihydropyridine?
2-(fluoromethyl)-3,4-dihydropyridine has a molecular weight of 113.13 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-3,4-dihydropyridine is sourced from PubChem (CID 166907541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).