1-(fluoromethyl)-2,3-dihydropyrrole

C5H8FN — CID 139880300

IUPAC1-(fluoromethyl)-2,3-dihydropyrrole
SMILESFCN1C=CCC1
InChIInChI=1S/C5H8FN/c6-5-7-3-1-2-4-7/h1,3H,2,4-5H2
InChIKeyIXDPRVKYHDJHAA-UHFFFAOYSA-N
MW101.12 g/mol
LogP1.13
Rot. Bonds1

About 1-(fluoromethyl)-2,3-dihydropyrrole

1-(fluoromethyl)-2,3-dihydropyrrole (PubChem CID 139880300) has the molecular formula C5H8FN and a molecular weight of 101.12 g/mol. Its IUPAC name is 1-(fluoromethyl)-2,3-dihydropyrrole.

Molecular Properties

Compound Name1-(fluoromethyl)-2,3-dihydropyrrole
PubChem CID139880300
Molecular FormulaC5H8FN
Molecular Weight101.12 g/mol
Exact Mass101.06
IUPAC Name1-(fluoromethyl)-2,3-dihydropyrrole
SMILESFCN1C=CCC1
InChIInChI=1S/C5H8FN/c6-5-7-3-1-2-4-7/h1,3H,2,4-5H2
InChIKeyIXDPRVKYHDJHAA-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)-2,3-dihydropyrrole?
The IUPAC name of 1-(fluoromethyl)-2,3-dihydropyrrole (CID 139880300) is 1-(fluoromethyl)-2,3-dihydropyrrole.
What is the SMILES notation for 1-(fluoromethyl)-2,3-dihydropyrrole?
The canonical SMILES for 1-(fluoromethyl)-2,3-dihydropyrrole is FCN1C=CCC1.
What is the InChIKey of 1-(fluoromethyl)-2,3-dihydropyrrole?
The InChIKey is IXDPRVKYHDJHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN/c6-5-7-3-1-2-4-7/h1,3H,2,4-5H2.
What are the key properties of 1-(fluoromethyl)-2,3-dihydropyrrole?
1-(fluoromethyl)-2,3-dihydropyrrole has a molecular weight of 101.12 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-2,3-dihydropyrrole is sourced from PubChem (CID 139880300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).