N-fluoro-2-pyrrolidin-1-ylethanamine

C6H13FN2 — CID 142858488

IUPACN-fluoro-2-pyrrolidin-1-ylethanamine
SMILESFNCCN1CCCC1
InChIInChI=1S/C6H13FN2/c7-8-3-6-9-4-1-2-5-9/h8H,1-6H2
InChIKeyLGUGYVURPCLQQS-UHFFFAOYSA-N
MW132.18 g/mol
LogP0.56
Rot. Bonds3

About N-fluoro-2-pyrrolidin-1-ylethanamine

N-fluoro-2-pyrrolidin-1-ylethanamine (PubChem CID 142858488) has the molecular formula C6H13FN2 and a molecular weight of 132.18 g/mol. Its IUPAC name is N-fluoro-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-fluoro-2-pyrrolidin-1-ylethanamine
PubChem CID142858488
Molecular FormulaC6H13FN2
Molecular Weight132.18 g/mol
Exact Mass132.11
IUPAC NameN-fluoro-2-pyrrolidin-1-ylethanamine
SMILESFNCCN1CCCC1
InChIInChI=1S/C6H13FN2/c7-8-3-6-9-4-1-2-5-9/h8H,1-6H2
InChIKeyLGUGYVURPCLQQS-UHFFFAOYSA-N
XLogP0.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-fluoro-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-fluoro-2-pyrrolidin-1-ylethanamine (CID 142858488) is N-fluoro-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-fluoro-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-fluoro-2-pyrrolidin-1-ylethanamine is FNCCN1CCCC1.
What is the InChIKey of N-fluoro-2-pyrrolidin-1-ylethanamine?
The InChIKey is LGUGYVURPCLQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FN2/c7-8-3-6-9-4-1-2-5-9/h8H,1-6H2.
What are the key properties of N-fluoro-2-pyrrolidin-1-ylethanamine?
N-fluoro-2-pyrrolidin-1-ylethanamine has a molecular weight of 132.18 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 142858488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).