1-(fluoromethyl)-4,5-dihydroimidazole

C4H7FN2 — CID 141167078

IUPAC1-(fluoromethyl)-4,5-dihydroimidazole
SMILESFCN1C=NCC1
InChIInChI=1S/C4H7FN2/c5-3-7-2-1-6-4-7/h4H,1-3H2
InChIKeyPKFSDARRRKGQLF-UHFFFAOYSA-N
MW102.11 g/mol
LogP0.26
Rot. Bonds1

About 1-(fluoromethyl)-4,5-dihydroimidazole

1-(fluoromethyl)-4,5-dihydroimidazole (PubChem CID 141167078) has the molecular formula C4H7FN2 and a molecular weight of 102.11 g/mol. Its IUPAC name is 1-(fluoromethyl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(fluoromethyl)-4,5-dihydroimidazole
PubChem CID141167078
Molecular FormulaC4H7FN2
Molecular Weight102.11 g/mol
Exact Mass102.06
IUPAC Name1-(fluoromethyl)-4,5-dihydroimidazole
SMILESFCN1C=NCC1
InChIInChI=1S/C4H7FN2/c5-3-7-2-1-6-4-7/h4H,1-3H2
InChIKeyPKFSDARRRKGQLF-UHFFFAOYSA-N
XLogP0.26
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.11
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-4,5-dihydroimidazole?
The IUPAC name of 1-(fluoromethyl)-4,5-dihydroimidazole (CID 141167078) is 1-(fluoromethyl)-4,5-dihydroimidazole.
What is the SMILES notation for 1-(fluoromethyl)-4,5-dihydroimidazole?
The canonical SMILES for 1-(fluoromethyl)-4,5-dihydroimidazole is FCN1C=NCC1.
What is the InChIKey of 1-(fluoromethyl)-4,5-dihydroimidazole?
The InChIKey is PKFSDARRRKGQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FN2/c5-3-7-2-1-6-4-7/h4H,1-3H2.
What are the key properties of 1-(fluoromethyl)-4,5-dihydroimidazole?
1-(fluoromethyl)-4,5-dihydroimidazole has a molecular weight of 102.11 g/mol, XLogP of 0.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-4,5-dihydroimidazole is sourced from PubChem (CID 141167078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).