2-fluoro-1-(methoxymethyl)imidazole

C5H7FN2O — CID 45087434

IUPAC2-fluoro-1-(methoxymethyl)imidazole
SMILESCOCn1ccnc1F
InChIInChI=1S/C5H7FN2O/c1-9-4-8-3-2-7-5(8)6/h2-3H,4H2,1H3
InChIKeyZTTYJPDUGLVWIQ-UHFFFAOYSA-N
MW130.12 g/mol
LogP0.63
Rot. Bonds2

About 2-fluoro-1-(methoxymethyl)imidazole

2-fluoro-1-(methoxymethyl)imidazole (PubChem CID 45087434) has the molecular formula C5H7FN2O and a molecular weight of 130.12 g/mol. Its IUPAC name is 2-fluoro-1-(methoxymethyl)imidazole.

Molecular Properties

Compound Name2-fluoro-1-(methoxymethyl)imidazole
PubChem CID45087434
Molecular FormulaC5H7FN2O
Molecular Weight130.12 g/mol
Exact Mass130.05
IUPAC Name2-fluoro-1-(methoxymethyl)imidazole
SMILESCOCn1ccnc1F
InChIInChI=1S/C5H7FN2O/c1-9-4-8-3-2-7-5(8)6/h2-3H,4H2,1H3
InChIKeyZTTYJPDUGLVWIQ-UHFFFAOYSA-N
XLogP0.63
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.12
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(methoxymethyl)imidazole?
The IUPAC name of 2-fluoro-1-(methoxymethyl)imidazole (CID 45087434) is 2-fluoro-1-(methoxymethyl)imidazole.
What is the SMILES notation for 2-fluoro-1-(methoxymethyl)imidazole?
The canonical SMILES for 2-fluoro-1-(methoxymethyl)imidazole is COCn1ccnc1F.
What is the InChIKey of 2-fluoro-1-(methoxymethyl)imidazole?
The InChIKey is ZTTYJPDUGLVWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2O/c1-9-4-8-3-2-7-5(8)6/h2-3H,4H2,1H3.
What are the key properties of 2-fluoro-1-(methoxymethyl)imidazole?
2-fluoro-1-(methoxymethyl)imidazole has a molecular weight of 130.12 g/mol, XLogP of 0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(methoxymethyl)imidazole is sourced from PubChem (CID 45087434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).