2-(fluoromethyl)-6-methyl-3,4-dihydropyridine

C7H10FN — CID 170610964

IUPAC2-(fluoromethyl)-6-methyl-3,4-dihydropyridine
SMILESCC1=CCCC(CF)=N1
InChIInChI=1S/C7H10FN/c1-6-3-2-4-7(5-8)9-6/h3H,2,4-5H2,1H3
InChIKeyGDSTYHMIGDHUNY-UHFFFAOYSA-N
MW127.16 g/mol
LogP2.09
Rot. Bonds1

About 2-(fluoromethyl)-6-methyl-3,4-dihydropyridine

2-(fluoromethyl)-6-methyl-3,4-dihydropyridine (PubChem CID 170610964) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is 2-(fluoromethyl)-6-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Name2-(fluoromethyl)-6-methyl-3,4-dihydropyridine
PubChem CID170610964
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name2-(fluoromethyl)-6-methyl-3,4-dihydropyridine
SMILESCC1=CCCC(CF)=N1
InChIInChI=1S/C7H10FN/c1-6-3-2-4-7(5-8)9-6/h3H,2,4-5H2,1H3
InChIKeyGDSTYHMIGDHUNY-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
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-3,4-dihydropyridine?
The IUPAC name of 2-(fluoromethyl)-6-methyl-3,4-dihydropyridine (CID 170610964) is 2-(fluoromethyl)-6-methyl-3,4-dihydropyridine.
What is the SMILES notation for 2-(fluoromethyl)-6-methyl-3,4-dihydropyridine?
The canonical SMILES for 2-(fluoromethyl)-6-methyl-3,4-dihydropyridine is CC1=CCCC(CF)=N1.
What is the InChIKey of 2-(fluoromethyl)-6-methyl-3,4-dihydropyridine?
The InChIKey is GDSTYHMIGDHUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN/c1-6-3-2-4-7(5-8)9-6/h3H,2,4-5H2,1H3.
What are the key properties of 2-(fluoromethyl)-6-methyl-3,4-dihydropyridine?
2-(fluoromethyl)-6-methyl-3,4-dihydropyridine has a molecular weight of 127.16 g/mol, XLogP of 2.09, 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-3,4-dihydropyridine is sourced from PubChem (CID 170610964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).