5-(fluoromethyl)-2,3-dihydropyridine

C6H8FN — CID 91586343

IUPAC5-(fluoromethyl)-2,3-dihydropyridine
SMILESFCC1=CCCN=C1
InChIInChI=1S/C6H8FN/c7-4-6-2-1-3-8-5-6/h2,5H,1,3-4H2
InChIKeyOKHXWVPRYIZCDC-UHFFFAOYSA-N
MW113.13 g/mol
LogP1.36
Rot. Bonds1

About 5-(fluoromethyl)-2,3-dihydropyridine

5-(fluoromethyl)-2,3-dihydropyridine (PubChem CID 91586343) has the molecular formula C6H8FN and a molecular weight of 113.13 g/mol. Its IUPAC name is 5-(fluoromethyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name5-(fluoromethyl)-2,3-dihydropyridine
PubChem CID91586343
Molecular FormulaC6H8FN
Molecular Weight113.13 g/mol
Exact Mass113.06
IUPAC Name5-(fluoromethyl)-2,3-dihydropyridine
SMILESFCC1=CCCN=C1
InChIInChI=1S/C6H8FN/c7-4-6-2-1-3-8-5-6/h2,5H,1,3-4H2
InChIKeyOKHXWVPRYIZCDC-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-2,3-dihydropyridine?
The IUPAC name of 5-(fluoromethyl)-2,3-dihydropyridine (CID 91586343) is 5-(fluoromethyl)-2,3-dihydropyridine.
What is the SMILES notation for 5-(fluoromethyl)-2,3-dihydropyridine?
The canonical SMILES for 5-(fluoromethyl)-2,3-dihydropyridine is FCC1=CCCN=C1.
What is the InChIKey of 5-(fluoromethyl)-2,3-dihydropyridine?
The InChIKey is OKHXWVPRYIZCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN/c7-4-6-2-1-3-8-5-6/h2,5H,1,3-4H2.
What are the key properties of 5-(fluoromethyl)-2,3-dihydropyridine?
5-(fluoromethyl)-2,3-dihydropyridine has a molecular weight of 113.13 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-2,3-dihydropyridine is sourced from PubChem (CID 91586343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).