2-fluoro-4-methyl-2,5-dihydro-1H-pyrrole

C5H8FN — CID 175304727

IUPAC2-fluoro-4-methyl-2,5-dihydro-1H-pyrrole
SMILESCC1=CC(F)NC1
InChIInChI=1S/C5H8FN/c1-4-2-5(6)7-3-4/h2,5,7H,3H2,1H3
InChIKeyBWZLIZURXASJEG-UHFFFAOYSA-N
MW101.12 g/mol
LogP0.83
Rot. Bonds

About 2-fluoro-4-methyl-2,5-dihydro-1H-pyrrole

2-fluoro-4-methyl-2,5-dihydro-1H-pyrrole (PubChem CID 175304727) has the molecular formula C5H8FN and a molecular weight of 101.12 g/mol. Its IUPAC name is 2-fluoro-4-methyl-2,5-dihydro-1H-pyrrole.

Molecular Properties

Compound Name2-fluoro-4-methyl-2,5-dihydro-1H-pyrrole
PubChem CID175304727
Molecular FormulaC5H8FN
Molecular Weight101.12 g/mol
Exact Mass101.06
IUPAC Name2-fluoro-4-methyl-2,5-dihydro-1H-pyrrole
SMILESCC1=CC(F)NC1
InChIInChI=1S/C5H8FN/c1-4-2-5(6)7-3-4/h2,5,7H,3H2,1H3
InChIKeyBWZLIZURXASJEG-UHFFFAOYSA-N
XLogP0.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.12
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-2,5-dihydro-1H-pyrrole?
The IUPAC name of 2-fluoro-4-methyl-2,5-dihydro-1H-pyrrole (CID 175304727) is 2-fluoro-4-methyl-2,5-dihydro-1H-pyrrole.
What is the SMILES notation for 2-fluoro-4-methyl-2,5-dihydro-1H-pyrrole?
The canonical SMILES for 2-fluoro-4-methyl-2,5-dihydro-1H-pyrrole is CC1=CC(F)NC1.
What is the InChIKey of 2-fluoro-4-methyl-2,5-dihydro-1H-pyrrole?
The InChIKey is BWZLIZURXASJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN/c1-4-2-5(6)7-3-4/h2,5,7H,3H2,1H3.
What are the key properties of 2-fluoro-4-methyl-2,5-dihydro-1H-pyrrole?
2-fluoro-4-methyl-2,5-dihydro-1H-pyrrole has a molecular weight of 101.12 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-2,5-dihydro-1H-pyrrole is sourced from PubChem (CID 175304727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).