4,5-difluoro-1-methyl-3,6-dihydro-2H-pyridine

C6H9F2N — CID 58799113

IUPAC4,5-difluoro-1-methyl-3,6-dihydro-2H-pyridine
SMILESCN1CCC(F)=C(F)C1
InChIInChI=1S/C6H9F2N/c1-9-3-2-5(7)6(8)4-9/h2-4H2,1H3
InChIKeyOHCXIAXIXBNGJA-UHFFFAOYSA-N
MW133.14 g/mol
LogP1.47
Rot. Bonds

About 4,5-difluoro-1-methyl-3,6-dihydro-2H-pyridine

4,5-difluoro-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 58799113) has the molecular formula C6H9F2N and a molecular weight of 133.14 g/mol. Its IUPAC name is 4,5-difluoro-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4,5-difluoro-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID58799113
Molecular FormulaC6H9F2N
Molecular Weight133.14 g/mol
Exact Mass133.07
IUPAC Name4,5-difluoro-1-methyl-3,6-dihydro-2H-pyridine
SMILESCN1CCC(F)=C(F)C1
InChIInChI=1S/C6H9F2N/c1-9-3-2-5(7)6(8)4-9/h2-4H2,1H3
InChIKeyOHCXIAXIXBNGJA-UHFFFAOYSA-N
XLogP1.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.14
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 4,5-difluoro-1-methyl-3,6-dihydro-2H-pyridine (CID 58799113) is 4,5-difluoro-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4,5-difluoro-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4,5-difluoro-1-methyl-3,6-dihydro-2H-pyridine is CN1CCC(F)=C(F)C1.
What is the InChIKey of 4,5-difluoro-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is OHCXIAXIXBNGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N/c1-9-3-2-5(7)6(8)4-9/h2-4H2,1H3.
What are the key properties of 4,5-difluoro-1-methyl-3,6-dihydro-2H-pyridine?
4,5-difluoro-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 133.14 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 58799113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).