2-fluoropiperidin-3-amine

C5H11FN2 — CID 42628750

IUPAC2-fluoropiperidin-3-amine
SMILESNC1CCCNC1F
InChIInChI=1S/C5H11FN2/c6-5-4(7)2-1-3-8-5/h4-5,8H,1-3,7H2
InChIKeyFILIJLHUUASTOW-UHFFFAOYSA-N
MW118.16 g/mol
LogP-0.01
Rot. Bonds

About 2-fluoropiperidin-3-amine

2-fluoropiperidin-3-amine (PubChem CID 42628750) has the molecular formula C5H11FN2 and a molecular weight of 118.16 g/mol. Its IUPAC name is 2-fluoropiperidin-3-amine.

Molecular Properties

Compound Name2-fluoropiperidin-3-amine
PubChem CID42628750
Molecular FormulaC5H11FN2
Molecular Weight118.16 g/mol
Exact Mass118.09
IUPAC Name2-fluoropiperidin-3-amine
SMILESNC1CCCNC1F
InChIInChI=1S/C5H11FN2/c6-5-4(7)2-1-3-8-5/h4-5,8H,1-3,7H2
InChIKeyFILIJLHUUASTOW-UHFFFAOYSA-N
XLogP-0.01
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.16
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoropiperidin-3-amine?
The IUPAC name of 2-fluoropiperidin-3-amine (CID 42628750) is 2-fluoropiperidin-3-amine.
What is the SMILES notation for 2-fluoropiperidin-3-amine?
The canonical SMILES for 2-fluoropiperidin-3-amine is NC1CCCNC1F.
What is the InChIKey of 2-fluoropiperidin-3-amine?
The InChIKey is FILIJLHUUASTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FN2/c6-5-4(7)2-1-3-8-5/h4-5,8H,1-3,7H2.
What are the key properties of 2-fluoropiperidin-3-amine?
2-fluoropiperidin-3-amine has a molecular weight of 118.16 g/mol, XLogP of -0.01, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoropiperidin-3-amine is sourced from PubChem (CID 42628750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).