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

C5H8FN — CID 174889861

IUPAC1-fluoro-4-methyl-2,3-dihydropyrrole
SMILESCC1=CN(F)CC1
InChIInChI=1S/C5H8FN/c1-5-2-3-7(6)4-5/h4H,2-3H2,1H3
InChIKeyIOXQBXAYLVUCMK-UHFFFAOYSA-N
MW101.12 g/mol
LogP1.48
Rot. Bonds

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

1-fluoro-4-methyl-2,3-dihydropyrrole (PubChem CID 174889861) has the molecular formula C5H8FN and a molecular weight of 101.12 g/mol. Its IUPAC name is 1-fluoro-4-methyl-2,3-dihydropyrrole.

Molecular Properties

Compound Name1-fluoro-4-methyl-2,3-dihydropyrrole
PubChem CID174889861
Molecular FormulaC5H8FN
Molecular Weight101.12 g/mol
Exact Mass101.06
IUPAC Name1-fluoro-4-methyl-2,3-dihydropyrrole
SMILESCC1=CN(F)CC1
InChIInChI=1S/C5H8FN/c1-5-2-3-7(6)4-5/h4H,2-3H2,1H3
InChIKeyIOXQBXAYLVUCMK-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
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-4-methyl-2,3-dihydropyrrole?
The IUPAC name of 1-fluoro-4-methyl-2,3-dihydropyrrole (CID 174889861) is 1-fluoro-4-methyl-2,3-dihydropyrrole.
What is the SMILES notation for 1-fluoro-4-methyl-2,3-dihydropyrrole?
The canonical SMILES for 1-fluoro-4-methyl-2,3-dihydropyrrole is CC1=CN(F)CC1.
What is the InChIKey of 1-fluoro-4-methyl-2,3-dihydropyrrole?
The InChIKey is IOXQBXAYLVUCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN/c1-5-2-3-7(6)4-5/h4H,2-3H2,1H3.
What are the key properties of 1-fluoro-4-methyl-2,3-dihydropyrrole?
1-fluoro-4-methyl-2,3-dihydropyrrole has a molecular weight of 101.12 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-methyl-2,3-dihydropyrrole is sourced from PubChem (CID 174889861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).