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

C6H11FN2 — CID 105427521

IUPACfluoro(1,2,3,6-tetrahydropyridin-4-yl)methanamine
SMILESNC(F)C1=CCNCC1
InChIInChI=1S/C6H11FN2/c7-6(8)5-1-3-9-4-2-5/h1,6,9H,2-4,8H2
InChIKeyGZRFETYOHZSUQQ-UHFFFAOYSA-N
MW130.17 g/mol
LogP0.16
Rot. Bonds1

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

fluoro(1,2,3,6-tetrahydropyridin-4-yl)methanamine (PubChem CID 105427521) has the molecular formula C6H11FN2 and a molecular weight of 130.17 g/mol. Its IUPAC name is fluoro(1,2,3,6-tetrahydropyridin-4-yl)methanamine.

Molecular Properties

Compound Namefluoro(1,2,3,6-tetrahydropyridin-4-yl)methanamine
PubChem CID105427521
Molecular FormulaC6H11FN2
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Namefluoro(1,2,3,6-tetrahydropyridin-4-yl)methanamine
SMILESNC(F)C1=CCNCC1
InChIInChI=1S/C6H11FN2/c7-6(8)5-1-3-9-4-2-5/h1,6,9H,2-4,8H2
InChIKeyGZRFETYOHZSUQQ-UHFFFAOYSA-N
XLogP0.16
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 50.16
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 fluoro(1,2,3,6-tetrahydropyridin-4-yl)methanamine?
The IUPAC name of fluoro(1,2,3,6-tetrahydropyridin-4-yl)methanamine (CID 105427521) is fluoro(1,2,3,6-tetrahydropyridin-4-yl)methanamine.
What is the SMILES notation for fluoro(1,2,3,6-tetrahydropyridin-4-yl)methanamine?
The canonical SMILES for fluoro(1,2,3,6-tetrahydropyridin-4-yl)methanamine is NC(F)C1=CCNCC1.
What is the InChIKey of fluoro(1,2,3,6-tetrahydropyridin-4-yl)methanamine?
The InChIKey is GZRFETYOHZSUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN2/c7-6(8)5-1-3-9-4-2-5/h1,6,9H,2-4,8H2.
What are the key properties of fluoro(1,2,3,6-tetrahydropyridin-4-yl)methanamine?
fluoro(1,2,3,6-tetrahydropyridin-4-yl)methanamine has a molecular weight of 130.17 g/mol, XLogP of 0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro(1,2,3,6-tetrahydropyridin-4-yl)methanamine is sourced from PubChem (CID 105427521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).