3,3-difluoro-2,6-dihydropyridin-1-amine

C5H8F2N2 — CID 167226721

IUPAC3,3-difluoro-2,6-dihydropyridin-1-amine
SMILESNN1CC=CC(F)(F)C1
InChIInChI=1S/C5H8F2N2/c6-5(7)2-1-3-9(8)4-5/h1-2H,3-4,8H2
InChIKeyFDPPCRHTKZVIRP-UHFFFAOYSA-N
MW134.13 g/mol
LogP0.37
Rot. Bonds

About 3,3-difluoro-2,6-dihydropyridin-1-amine

3,3-difluoro-2,6-dihydropyridin-1-amine (PubChem CID 167226721) has the molecular formula C5H8F2N2 and a molecular weight of 134.13 g/mol. Its IUPAC name is 3,3-difluoro-2,6-dihydropyridin-1-amine.

Molecular Properties

Compound Name3,3-difluoro-2,6-dihydropyridin-1-amine
PubChem CID167226721
Molecular FormulaC5H8F2N2
Molecular Weight134.13 g/mol
Exact Mass134.07
IUPAC Name3,3-difluoro-2,6-dihydropyridin-1-amine
SMILESNN1CC=CC(F)(F)C1
InChIInChI=1S/C5H8F2N2/c6-5(7)2-1-3-9(8)4-5/h1-2H,3-4,8H2
InChIKeyFDPPCRHTKZVIRP-UHFFFAOYSA-N
XLogP0.37
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2,6-dihydropyridin-1-amine?
The IUPAC name of 3,3-difluoro-2,6-dihydropyridin-1-amine (CID 167226721) is 3,3-difluoro-2,6-dihydropyridin-1-amine.
What is the SMILES notation for 3,3-difluoro-2,6-dihydropyridin-1-amine?
The canonical SMILES for 3,3-difluoro-2,6-dihydropyridin-1-amine is NN1CC=CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-2,6-dihydropyridin-1-amine?
The InChIKey is FDPPCRHTKZVIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N2/c6-5(7)2-1-3-9(8)4-5/h1-2H,3-4,8H2.
What are the key properties of 3,3-difluoro-2,6-dihydropyridin-1-amine?
3,3-difluoro-2,6-dihydropyridin-1-amine has a molecular weight of 134.13 g/mol, XLogP of 0.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2,6-dihydropyridin-1-amine is sourced from PubChem (CID 167226721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).