2-(fluoromethyl)-6-methyl-2,3-dihydropyridine

C7H10FN — CID 70459540

IUPAC2-(fluoromethyl)-6-methyl-2,3-dihydropyridine
SMILESCC1=NC(CF)CC=C1
InChIInChI=1S/C7H10FN/c1-6-3-2-4-7(5-8)9-6/h2-3,7H,4-5H2,1H3
InChIKeyQCJRUVVGRZHCBN-UHFFFAOYSA-N
MW127.16 g/mol
LogP1.75
Rot. Bonds1

About 2-(fluoromethyl)-6-methyl-2,3-dihydropyridine

2-(fluoromethyl)-6-methyl-2,3-dihydropyridine (PubChem CID 70459540) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is 2-(fluoromethyl)-6-methyl-2,3-dihydropyridine.

Molecular Properties

Compound Name2-(fluoromethyl)-6-methyl-2,3-dihydropyridine
PubChem CID70459540
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name2-(fluoromethyl)-6-methyl-2,3-dihydropyridine
SMILESCC1=NC(CF)CC=C1
InChIInChI=1S/C7H10FN/c1-6-3-2-4-7(5-8)9-6/h2-3,7H,4-5H2,1H3
InChIKeyQCJRUVVGRZHCBN-UHFFFAOYSA-N
XLogP1.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-6-methyl-2,3-dihydropyridine?
The IUPAC name of 2-(fluoromethyl)-6-methyl-2,3-dihydropyridine (CID 70459540) is 2-(fluoromethyl)-6-methyl-2,3-dihydropyridine.
What is the SMILES notation for 2-(fluoromethyl)-6-methyl-2,3-dihydropyridine?
The canonical SMILES for 2-(fluoromethyl)-6-methyl-2,3-dihydropyridine is CC1=NC(CF)CC=C1.
What is the InChIKey of 2-(fluoromethyl)-6-methyl-2,3-dihydropyridine?
The InChIKey is QCJRUVVGRZHCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN/c1-6-3-2-4-7(5-8)9-6/h2-3,7H,4-5H2,1H3.
What are the key properties of 2-(fluoromethyl)-6-methyl-2,3-dihydropyridine?
2-(fluoromethyl)-6-methyl-2,3-dihydropyridine has a molecular weight of 127.16 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-6-methyl-2,3-dihydropyridine is sourced from PubChem (CID 70459540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).