4-fluoro-1-methyl-2,3-dihydropyrrole

C5H8FN — CID 154572373

IUPAC4-fluoro-1-methyl-2,3-dihydropyrrole
SMILESCN1C=C(F)CC1
InChIInChI=1S/C5H8FN/c1-7-3-2-5(6)4-7/h4H,2-3H2,1H3
InChIKeyLKEJPLLOLVEODZ-UHFFFAOYSA-N
MW101.12 g/mol
LogP1.13
Rot. Bonds

About 4-fluoro-1-methyl-2,3-dihydropyrrole

4-fluoro-1-methyl-2,3-dihydropyrrole (PubChem CID 154572373) has the molecular formula C5H8FN and a molecular weight of 101.12 g/mol. Its IUPAC name is 4-fluoro-1-methyl-2,3-dihydropyrrole.

Molecular Properties

Compound Name4-fluoro-1-methyl-2,3-dihydropyrrole
PubChem CID154572373
Molecular FormulaC5H8FN
Molecular Weight101.12 g/mol
Exact Mass101.06
IUPAC Name4-fluoro-1-methyl-2,3-dihydropyrrole
SMILESCN1C=C(F)CC1
InChIInChI=1S/C5H8FN/c1-7-3-2-5(6)4-7/h4H,2-3H2,1H3
InChIKeyLKEJPLLOLVEODZ-UHFFFAOYSA-N
XLogP1.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.12
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methyl-2,3-dihydropyrrole?
The IUPAC name of 4-fluoro-1-methyl-2,3-dihydropyrrole (CID 154572373) is 4-fluoro-1-methyl-2,3-dihydropyrrole.
What is the SMILES notation for 4-fluoro-1-methyl-2,3-dihydropyrrole?
The canonical SMILES for 4-fluoro-1-methyl-2,3-dihydropyrrole is CN1C=C(F)CC1.
What is the InChIKey of 4-fluoro-1-methyl-2,3-dihydropyrrole?
The InChIKey is LKEJPLLOLVEODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN/c1-7-3-2-5(6)4-7/h4H,2-3H2,1H3.
What are the key properties of 4-fluoro-1-methyl-2,3-dihydropyrrole?
4-fluoro-1-methyl-2,3-dihydropyrrole has a molecular weight of 101.12 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methyl-2,3-dihydropyrrole is sourced from PubChem (CID 154572373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).