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

C7H13FN2 — CID 105428657

IUPAC2-fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine
SMILESNCC(F)C1=CCNCC1
InChIInChI=1S/C7H13FN2/c8-7(5-9)6-1-3-10-4-2-6/h1,7,10H,2-5,9H2
InChIKeyMFYZSYOSHFHVHY-UHFFFAOYSA-N
MW144.19 g/mol
LogP0.20
Rot. Bonds2

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

2-fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine (PubChem CID 105428657) has the molecular formula C7H13FN2 and a molecular weight of 144.19 g/mol. Its IUPAC name is 2-fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine.

Molecular Properties

Compound Name2-fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine
PubChem CID105428657
Molecular FormulaC7H13FN2
Molecular Weight144.19 g/mol
Exact Mass144.11
IUPAC Name2-fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine
SMILESNCC(F)C1=CCNCC1
InChIInChI=1S/C7H13FN2/c8-7(5-9)6-1-3-10-4-2-6/h1,7,10H,2-5,9H2
InChIKeyMFYZSYOSHFHVHY-UHFFFAOYSA-N
XLogP0.20
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine?
The IUPAC name of 2-fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine (CID 105428657) is 2-fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine.
What is the SMILES notation for 2-fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine?
The canonical SMILES for 2-fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine is NCC(F)C1=CCNCC1.
What is the InChIKey of 2-fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine?
The InChIKey is MFYZSYOSHFHVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2/c8-7(5-9)6-1-3-10-4-2-6/h1,7,10H,2-5,9H2.
What are the key properties of 2-fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine?
2-fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine has a molecular weight of 144.19 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine is sourced from PubChem (CID 105428657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).