3-fluoro-1-methanidylpyrrolidin-1-ium

C5H10FN — CID 59130828

IUPAC3-fluoro-1-methanidylpyrrolidin-1-ium
SMILES[CH2-][NH+]1CCC(F)C1
InChIInChI=1S/C5H10FN/c1-7-3-2-5(6)4-7/h5,7H,1-4H2
InChIKeyCWWZHUFOUFLBQI-UHFFFAOYSA-N
MW103.14 g/mol
LogP-0.60
Rot. Bonds

About 3-fluoro-1-methanidylpyrrolidin-1-ium

3-fluoro-1-methanidylpyrrolidin-1-ium (PubChem CID 59130828) has the molecular formula C5H10FN and a molecular weight of 103.14 g/mol. Its IUPAC name is 3-fluoro-1-methanidylpyrrolidin-1-ium.

Molecular Properties

Compound Name3-fluoro-1-methanidylpyrrolidin-1-ium
PubChem CID59130828
Molecular FormulaC5H10FN
Molecular Weight103.14 g/mol
Exact Mass103.08
IUPAC Name3-fluoro-1-methanidylpyrrolidin-1-ium
SMILES[CH2-][NH+]1CCC(F)C1
InChIInChI=1S/C5H10FN/c1-7-3-2-5(6)4-7/h5,7H,1-4H2
InChIKeyCWWZHUFOUFLBQI-UHFFFAOYSA-N
XLogP-0.60
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.14
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methanidylpyrrolidin-1-ium?
The IUPAC name of 3-fluoro-1-methanidylpyrrolidin-1-ium (CID 59130828) is 3-fluoro-1-methanidylpyrrolidin-1-ium.
What is the SMILES notation for 3-fluoro-1-methanidylpyrrolidin-1-ium?
The canonical SMILES for 3-fluoro-1-methanidylpyrrolidin-1-ium is [CH2-][NH+]1CCC(F)C1.
What is the InChIKey of 3-fluoro-1-methanidylpyrrolidin-1-ium?
The InChIKey is CWWZHUFOUFLBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FN/c1-7-3-2-5(6)4-7/h5,7H,1-4H2.
What are the key properties of 3-fluoro-1-methanidylpyrrolidin-1-ium?
3-fluoro-1-methanidylpyrrolidin-1-ium has a molecular weight of 103.14 g/mol, XLogP of -0.60, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methanidylpyrrolidin-1-ium is sourced from PubChem (CID 59130828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).