2-(3-fluoropyrrolidin-1-yl)ethanamine

C6H13FN2 — CID 18179948

IUPAC2-(3-fluoropyrrolidin-1-yl)ethanamine
SMILESNCCN1CCC(F)C1
InChIInChI=1S/C6H13FN2/c7-6-1-3-9(5-6)4-2-8/h6H,1-5,8H2
InChIKeyBDJMFULOUWVNIL-UHFFFAOYSA-N
MW132.18 g/mol
LogP-0.01
Rot. Bonds2

About 2-(3-fluoropyrrolidin-1-yl)ethanamine

2-(3-fluoropyrrolidin-1-yl)ethanamine (PubChem CID 18179948) has the molecular formula C6H13FN2 and a molecular weight of 132.18 g/mol. Its IUPAC name is 2-(3-fluoropyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-fluoropyrrolidin-1-yl)ethanamine
PubChem CID18179948
Molecular FormulaC6H13FN2
Molecular Weight132.18 g/mol
Exact Mass132.11
IUPAC Name2-(3-fluoropyrrolidin-1-yl)ethanamine
SMILESNCCN1CCC(F)C1
InChIInChI=1S/C6H13FN2/c7-6-1-3-9(5-6)4-2-8/h6H,1-5,8H2
InChIKeyBDJMFULOUWVNIL-UHFFFAOYSA-N
XLogP-0.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropyrrolidin-1-yl)ethanamine?
The IUPAC name of 2-(3-fluoropyrrolidin-1-yl)ethanamine (CID 18179948) is 2-(3-fluoropyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-(3-fluoropyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-(3-fluoropyrrolidin-1-yl)ethanamine is NCCN1CCC(F)C1.
What is the InChIKey of 2-(3-fluoropyrrolidin-1-yl)ethanamine?
The InChIKey is BDJMFULOUWVNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FN2/c7-6-1-3-9(5-6)4-2-8/h6H,1-5,8H2.
What are the key properties of 2-(3-fluoropyrrolidin-1-yl)ethanamine?
2-(3-fluoropyrrolidin-1-yl)ethanamine has a molecular weight of 132.18 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 18179948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).