difluoro(1,2,3,6-tetrahydropyridin-4-yl)methanamine

C6H10F2N2 — CID 105429168

IUPACdifluoro(1,2,3,6-tetrahydropyridin-4-yl)methanamine
SMILESNC(F)(F)C1=CCNCC1
InChIInChI=1S/C6H10F2N2/c7-6(8,9)5-1-3-10-4-2-5/h1,10H,2-4,9H2
InChIKeyTVRJYYLKXQPUEG-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.46
Rot. Bonds1

About difluoro(1,2,3,6-tetrahydropyridin-4-yl)methanamine

difluoro(1,2,3,6-tetrahydropyridin-4-yl)methanamine (PubChem CID 105429168) has the molecular formula C6H10F2N2 and a molecular weight of 148.16 g/mol. Its IUPAC name is difluoro(1,2,3,6-tetrahydropyridin-4-yl)methanamine.

Molecular Properties

Compound Namedifluoro(1,2,3,6-tetrahydropyridin-4-yl)methanamine
PubChem CID105429168
Molecular FormulaC6H10F2N2
Molecular Weight148.16 g/mol
Exact Mass148.08
IUPAC Namedifluoro(1,2,3,6-tetrahydropyridin-4-yl)methanamine
SMILESNC(F)(F)C1=CCNCC1
InChIInChI=1S/C6H10F2N2/c7-6(8,9)5-1-3-10-4-2-5/h1,10H,2-4,9H2
InChIKeyTVRJYYLKXQPUEG-UHFFFAOYSA-N
XLogP0.46
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of difluoro(1,2,3,6-tetrahydropyridin-4-yl)methanamine?
The IUPAC name of difluoro(1,2,3,6-tetrahydropyridin-4-yl)methanamine (CID 105429168) is difluoro(1,2,3,6-tetrahydropyridin-4-yl)methanamine.
What is the SMILES notation for difluoro(1,2,3,6-tetrahydropyridin-4-yl)methanamine?
The canonical SMILES for difluoro(1,2,3,6-tetrahydropyridin-4-yl)methanamine is NC(F)(F)C1=CCNCC1.
What is the InChIKey of difluoro(1,2,3,6-tetrahydropyridin-4-yl)methanamine?
The InChIKey is TVRJYYLKXQPUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N2/c7-6(8,9)5-1-3-10-4-2-5/h1,10H,2-4,9H2.
What are the key properties of difluoro(1,2,3,6-tetrahydropyridin-4-yl)methanamine?
difluoro(1,2,3,6-tetrahydropyridin-4-yl)methanamine has a molecular weight of 148.16 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro(1,2,3,6-tetrahydropyridin-4-yl)methanamine is sourced from PubChem (CID 105429168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).