4-(fluoromethyl)-1,3-dihydroimidazol-2-one

C4H5FN2O — CID 84762078

IUPAC4-(fluoromethyl)-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]cc(CF)[nH]1
InChIInChI=1S/C4H5FN2O/c5-1-3-2-6-4(8)7-3/h2H,1H2,(H2,6,7,8)
InChIKeyZMXZGBOYCNVFSD-UHFFFAOYSA-N
MW116.09 g/mol
LogP0.17
Rot. Bonds1

About 4-(fluoromethyl)-1,3-dihydroimidazol-2-one

4-(fluoromethyl)-1,3-dihydroimidazol-2-one (PubChem CID 84762078) has the molecular formula C4H5FN2O and a molecular weight of 116.09 g/mol. Its IUPAC name is 4-(fluoromethyl)-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-(fluoromethyl)-1,3-dihydroimidazol-2-one
PubChem CID84762078
Molecular FormulaC4H5FN2O
Molecular Weight116.09 g/mol
Exact Mass116.04
IUPAC Name4-(fluoromethyl)-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]cc(CF)[nH]1
InChIInChI=1S/C4H5FN2O/c5-1-3-2-6-4(8)7-3/h2H,1H2,(H2,6,7,8)
InChIKeyZMXZGBOYCNVFSD-UHFFFAOYSA-N
XLogP0.17
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.09
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-(fluoromethyl)-1,3-dihydroimidazol-2-one (CID 84762078) is 4-(fluoromethyl)-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-(fluoromethyl)-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-(fluoromethyl)-1,3-dihydroimidazol-2-one is O=c1[nH]cc(CF)[nH]1.
What is the InChIKey of 4-(fluoromethyl)-1,3-dihydroimidazol-2-one?
The InChIKey is ZMXZGBOYCNVFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN2O/c5-1-3-2-6-4(8)7-3/h2H,1H2,(H2,6,7,8).
What are the key properties of 4-(fluoromethyl)-1,3-dihydroimidazol-2-one?
4-(fluoromethyl)-1,3-dihydroimidazol-2-one has a molecular weight of 116.09 g/mol, XLogP of 0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 84762078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).