1-fluoro-3-methylpyrrolidine

C5H10FN — CID 126633601

IUPAC1-fluoro-3-methylpyrrolidine
SMILESCC1CCN(F)C1
InChIInChI=1S/C5H10FN/c1-5-2-3-7(6)4-5/h5H,2-4H2,1H3
InChIKeyTXDLFMYWUGHTQK-UHFFFAOYSA-N
MW103.14 g/mol
LogP1.21
Rot. Bonds

About 1-fluoro-3-methylpyrrolidine

1-fluoro-3-methylpyrrolidine (PubChem CID 126633601) has the molecular formula C5H10FN and a molecular weight of 103.14 g/mol. Its IUPAC name is 1-fluoro-3-methylpyrrolidine.

Molecular Properties

Compound Name1-fluoro-3-methylpyrrolidine
PubChem CID126633601
Molecular FormulaC5H10FN
Molecular Weight103.14 g/mol
Exact Mass103.08
IUPAC Name1-fluoro-3-methylpyrrolidine
SMILESCC1CCN(F)C1
InChIInChI=1S/C5H10FN/c1-5-2-3-7(6)4-5/h5H,2-4H2,1H3
InChIKeyTXDLFMYWUGHTQK-UHFFFAOYSA-N
XLogP1.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.14
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-fluoro-3-methylpyrrolidine?
The IUPAC name of 1-fluoro-3-methylpyrrolidine (CID 126633601) is 1-fluoro-3-methylpyrrolidine.
What is the SMILES notation for 1-fluoro-3-methylpyrrolidine?
The canonical SMILES for 1-fluoro-3-methylpyrrolidine is CC1CCN(F)C1.
What is the InChIKey of 1-fluoro-3-methylpyrrolidine?
The InChIKey is TXDLFMYWUGHTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FN/c1-5-2-3-7(6)4-5/h5H,2-4H2,1H3.
What are the key properties of 1-fluoro-3-methylpyrrolidine?
1-fluoro-3-methylpyrrolidine has a molecular weight of 103.14 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-methylpyrrolidine is sourced from PubChem (CID 126633601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).