4-fluoro-3-methyl-2H-pyrrole

C5H6FN — CID 143441217

IUPAC4-fluoro-3-methyl-2H-pyrrole
SMILESCC1=C(F)C=NC1
InChIInChI=1S/C5H6FN/c1-4-2-7-3-5(4)6/h3H,2H2,1H3
InChIKeyFUFMRJRPQOBGSY-UHFFFAOYSA-N
MW99.11 g/mol
LogP1.31
Rot. Bonds

About 4-fluoro-3-methyl-2H-pyrrole

4-fluoro-3-methyl-2H-pyrrole (PubChem CID 143441217) has the molecular formula C5H6FN and a molecular weight of 99.11 g/mol. Its IUPAC name is 4-fluoro-3-methyl-2H-pyrrole.

Molecular Properties

Compound Name4-fluoro-3-methyl-2H-pyrrole
PubChem CID143441217
Molecular FormulaC5H6FN
Molecular Weight99.11 g/mol
Exact Mass99.05
IUPAC Name4-fluoro-3-methyl-2H-pyrrole
SMILESCC1=C(F)C=NC1
InChIInChI=1S/C5H6FN/c1-4-2-7-3-5(4)6/h3H,2H2,1H3
InChIKeyFUFMRJRPQOBGSY-UHFFFAOYSA-N
XLogP1.31
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.11
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-2H-pyrrole?
The IUPAC name of 4-fluoro-3-methyl-2H-pyrrole (CID 143441217) is 4-fluoro-3-methyl-2H-pyrrole.
What is the SMILES notation for 4-fluoro-3-methyl-2H-pyrrole?
The canonical SMILES for 4-fluoro-3-methyl-2H-pyrrole is CC1=C(F)C=NC1.
What is the InChIKey of 4-fluoro-3-methyl-2H-pyrrole?
The InChIKey is FUFMRJRPQOBGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN/c1-4-2-7-3-5(4)6/h3H,2H2,1H3.
What are the key properties of 4-fluoro-3-methyl-2H-pyrrole?
4-fluoro-3-methyl-2H-pyrrole has a molecular weight of 99.11 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-2H-pyrrole is sourced from PubChem (CID 143441217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).