1-(fluoromethyl)-2,5-dihydropyrrole

C5H8FN — CID 139880328

IUPAC1-(fluoromethyl)-2,5-dihydropyrrole
SMILESFCN1CC=CC1
InChIInChI=1S/C5H8FN/c6-5-7-3-1-2-4-7/h1-2H,3-5H2
InChIKeySGEZKUAHMHQOLI-UHFFFAOYSA-N
MW101.12 g/mol
LogP0.79
Rot. Bonds1

About 1-(fluoromethyl)-2,5-dihydropyrrole

1-(fluoromethyl)-2,5-dihydropyrrole (PubChem CID 139880328) has the molecular formula C5H8FN and a molecular weight of 101.12 g/mol. Its IUPAC name is 1-(fluoromethyl)-2,5-dihydropyrrole.

Molecular Properties

Compound Name1-(fluoromethyl)-2,5-dihydropyrrole
PubChem CID139880328
Molecular FormulaC5H8FN
Molecular Weight101.12 g/mol
Exact Mass101.06
IUPAC Name1-(fluoromethyl)-2,5-dihydropyrrole
SMILESFCN1CC=CC1
InChIInChI=1S/C5H8FN/c6-5-7-3-1-2-4-7/h1-2H,3-5H2
InChIKeySGEZKUAHMHQOLI-UHFFFAOYSA-N
XLogP0.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.12
LogP ≤ 50.79
H-Bond Donors ≤ 50
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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Related Compounds

2,5-Dihydro-1-methylpyrrole
CID 136355
1-(3-fluoropropyl)-2,5-dihydro-1H-pyrrole
CID 145874744
1,1-Dimethyl-2,5-dihydropyrrol-1-ium
CID 19037197
1-Prop-2-enyl-2,5-dihydropyrrole
CID 67908753
1-Fluoroprop-2-enyl-tris(prop-2-enyl)azanium
CID 88095234
N-prop-2-enyl-N-(trifluoromethyl)prop-2-en-1-amine
CID 88598252
3-Fluoro-1-methyl-2,5-dihydropyrrole
CID 90903503
N-(2-fluoroethyl)-N-prop-2-enylprop-2-en-1-amine
CID 130701613
N-(2-fluoroethyl)-N-methylprop-2-en-1-amine
CID 131108623
1-(2,2,2-Trifluoroethyl)-2,5-dihydropyrrole
CID 139880302
1-(1-Fluoroethyl)-2,5-dihydropyrrole
CID 139880311
1-(2,2-Difluoroethyl)-2,5-dihydropyrrole
CID 139880316

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)-2,5-dihydropyrrole?
The IUPAC name of 1-(fluoromethyl)-2,5-dihydropyrrole (CID 139880328) is 1-(fluoromethyl)-2,5-dihydropyrrole.
What is the SMILES notation for 1-(fluoromethyl)-2,5-dihydropyrrole?
The canonical SMILES for 1-(fluoromethyl)-2,5-dihydropyrrole is FCN1CC=CC1.
What is the InChIKey of 1-(fluoromethyl)-2,5-dihydropyrrole?
The InChIKey is SGEZKUAHMHQOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN/c6-5-7-3-1-2-4-7/h1-2H,3-5H2.
What are the key properties of 1-(fluoromethyl)-2,5-dihydropyrrole?
1-(fluoromethyl)-2,5-dihydropyrrole has a molecular weight of 101.12 g/mol, XLogP of 0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-2,5-dihydropyrrole is sourced from PubChem (CID 139880328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).