2-fluoro-1-methyl-3-prop-2-enyl-2H-imidazole

C7H11FN2 — CID 175194676

IUPAC2-fluoro-1-methyl-3-prop-2-enyl-2H-imidazole
SMILESC=CCN1C=CN(C)C1F
InChIInChI=1S/C7H11FN2/c1-3-4-10-6-5-9(2)7(10)8/h3,5-7H,1,4H2,2H3
InChIKeyIWGZEHZAVOWXKC-UHFFFAOYSA-N
MW142.18 g/mol
LogP1.14
Rot. Bonds2

About 2-fluoro-1-methyl-3-prop-2-enyl-2H-imidazole

2-fluoro-1-methyl-3-prop-2-enyl-2H-imidazole (PubChem CID 175194676) has the molecular formula C7H11FN2 and a molecular weight of 142.18 g/mol. Its IUPAC name is 2-fluoro-1-methyl-3-prop-2-enyl-2H-imidazole.

Molecular Properties

Compound Name2-fluoro-1-methyl-3-prop-2-enyl-2H-imidazole
PubChem CID175194676
Molecular FormulaC7H11FN2
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC Name2-fluoro-1-methyl-3-prop-2-enyl-2H-imidazole
SMILESC=CCN1C=CN(C)C1F
InChIInChI=1S/C7H11FN2/c1-3-4-10-6-5-9(2)7(10)8/h3,5-7H,1,4H2,2H3
InChIKeyIWGZEHZAVOWXKC-UHFFFAOYSA-N
XLogP1.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methyl-3-prop-2-enyl-2H-imidazole?
The IUPAC name of 2-fluoro-1-methyl-3-prop-2-enyl-2H-imidazole (CID 175194676) is 2-fluoro-1-methyl-3-prop-2-enyl-2H-imidazole.
What is the SMILES notation for 2-fluoro-1-methyl-3-prop-2-enyl-2H-imidazole?
The canonical SMILES for 2-fluoro-1-methyl-3-prop-2-enyl-2H-imidazole is C=CCN1C=CN(C)C1F.
What is the InChIKey of 2-fluoro-1-methyl-3-prop-2-enyl-2H-imidazole?
The InChIKey is IWGZEHZAVOWXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2/c1-3-4-10-6-5-9(2)7(10)8/h3,5-7H,1,4H2,2H3.
What are the key properties of 2-fluoro-1-methyl-3-prop-2-enyl-2H-imidazole?
2-fluoro-1-methyl-3-prop-2-enyl-2H-imidazole has a molecular weight of 142.18 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methyl-3-prop-2-enyl-2H-imidazole is sourced from PubChem (CID 175194676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).