3,3-difluoro-1-methyl-2,6-dihydropyridine

C6H9F2N — CID 118595142

IUPAC3,3-difluoro-1-methyl-2,6-dihydropyridine
SMILESCN1CC=CC(F)(F)C1
InChIInChI=1S/C6H9F2N/c1-9-4-2-3-6(7,8)5-9/h2-3H,4-5H2,1H3
InChIKeyMLTSQKNUPQUAJS-UHFFFAOYSA-N
MW133.14 g/mol
LogP1.12
Rot. Bonds

About 3,3-difluoro-1-methyl-2,6-dihydropyridine

3,3-difluoro-1-methyl-2,6-dihydropyridine (PubChem CID 118595142) has the molecular formula C6H9F2N and a molecular weight of 133.14 g/mol. Its IUPAC name is 3,3-difluoro-1-methyl-2,6-dihydropyridine.

Molecular Properties

Compound Name3,3-difluoro-1-methyl-2,6-dihydropyridine
PubChem CID118595142
Molecular FormulaC6H9F2N
Molecular Weight133.14 g/mol
Exact Mass133.07
IUPAC Name3,3-difluoro-1-methyl-2,6-dihydropyridine
SMILESCN1CC=CC(F)(F)C1
InChIInChI=1S/C6H9F2N/c1-9-4-2-3-6(7,8)5-9/h2-3H,4-5H2,1H3
InChIKeyMLTSQKNUPQUAJS-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Ethyl-1,2,3,6-tetrahydropyridine
CID 247451
1-Methyl-1,2,3,6-tetrahydropyridine
CID 69666
1-Methyl-1,2,3,6-tetrahydropyridine hydrochloride
CID 2724681
1-Propyl-1,2,3,6-tetrahydropyridine
CID 357826
1-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 20612496
Diethyl-methyl-(6,6,6-trifluorohex-2-enyl)azanium
CID 54504163
4-fluoro-1-methyl-3,6-dihydro-2H-pyridine
CID 58799112
4,5-difluoro-1-methyl-3,6-dihydro-2H-pyridine
CID 58799113
5-fluoro-1-methyl-3,6-dihydro-2H-pyridine
CID 58799114
(E)-N,N-bis(trifluoromethyl)pent-2-en-1-amine
CID 59366583
4-methyl-1-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 68099687
4-methyl-1-(3,3,3-trifluoropropyl)-3,6-dihydro-2H-pyridine
CID 69929361

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-methyl-2,6-dihydropyridine?
The IUPAC name of 3,3-difluoro-1-methyl-2,6-dihydropyridine (CID 118595142) is 3,3-difluoro-1-methyl-2,6-dihydropyridine.
What is the SMILES notation for 3,3-difluoro-1-methyl-2,6-dihydropyridine?
The canonical SMILES for 3,3-difluoro-1-methyl-2,6-dihydropyridine is CN1CC=CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-methyl-2,6-dihydropyridine?
The InChIKey is MLTSQKNUPQUAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N/c1-9-4-2-3-6(7,8)5-9/h2-3H,4-5H2,1H3.
What are the key properties of 3,3-difluoro-1-methyl-2,6-dihydropyridine?
3,3-difluoro-1-methyl-2,6-dihydropyridine has a molecular weight of 133.14 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-methyl-2,6-dihydropyridine is sourced from PubChem (CID 118595142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).