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

C6H13FN2 — CID 178155722

IUPAC1-(3-fluoropyrrolidin-1-yl)ethanamine
SMILESCC(N)N1CCC(F)C1
InChIInChI=1S/C6H13FN2/c1-5(8)9-3-2-6(7)4-9/h5-6H,2-4,8H2,1H3
InChIKeyVDYDNDIXHMBVRC-UHFFFAOYSA-N
MW132.18 g/mol
LogP0.33
Rot. Bonds1

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

1-(3-fluoropyrrolidin-1-yl)ethanamine (PubChem CID 178155722) has the molecular formula C6H13FN2 and a molecular weight of 132.18 g/mol. Its IUPAC name is 1-(3-fluoropyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name1-(3-fluoropyrrolidin-1-yl)ethanamine
PubChem CID178155722
Molecular FormulaC6H13FN2
Molecular Weight132.18 g/mol
Exact Mass132.11
IUPAC Name1-(3-fluoropyrrolidin-1-yl)ethanamine
SMILESCC(N)N1CCC(F)C1
InChIInChI=1S/C6H13FN2/c1-5(8)9-3-2-6(7)4-9/h5-6H,2-4,8H2,1H3
InChIKeyVDYDNDIXHMBVRC-UHFFFAOYSA-N
XLogP0.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropyrrolidin-1-yl)ethanamine?
The IUPAC name of 1-(3-fluoropyrrolidin-1-yl)ethanamine (CID 178155722) is 1-(3-fluoropyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 1-(3-fluoropyrrolidin-1-yl)ethanamine?
The canonical SMILES for 1-(3-fluoropyrrolidin-1-yl)ethanamine is CC(N)N1CCC(F)C1.
What is the InChIKey of 1-(3-fluoropyrrolidin-1-yl)ethanamine?
The InChIKey is VDYDNDIXHMBVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FN2/c1-5(8)9-3-2-6(7)4-9/h5-6H,2-4,8H2,1H3.
What are the key properties of 1-(3-fluoropyrrolidin-1-yl)ethanamine?
1-(3-fluoropyrrolidin-1-yl)ethanamine has a molecular weight of 132.18 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 178155722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).