1-(2,2-difluoroethyl)-4H-imidazol-5-one

C5H6F2N2O — CID 173378999

IUPAC1-(2,2-difluoroethyl)-4H-imidazol-5-one
SMILESO=C1CN=CN1CC(F)F
InChIInChI=1S/C5H6F2N2O/c6-4(7)2-9-3-8-1-5(9)10/h3-4H,1-2H2
InChIKeyWASDPTJNOGPVDM-UHFFFAOYSA-N
MW148.11 g/mol
LogP0.12
Rot. Bonds2

About 1-(2,2-difluoroethyl)-4H-imidazol-5-one

1-(2,2-difluoroethyl)-4H-imidazol-5-one (PubChem CID 173378999) has the molecular formula C5H6F2N2O and a molecular weight of 148.11 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-4H-imidazol-5-one.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-4H-imidazol-5-one
PubChem CID173378999
Molecular FormulaC5H6F2N2O
Molecular Weight148.11 g/mol
Exact Mass148.04
IUPAC Name1-(2,2-difluoroethyl)-4H-imidazol-5-one
SMILESO=C1CN=CN1CC(F)F
InChIInChI=1S/C5H6F2N2O/c6-4(7)2-9-3-8-1-5(9)10/h3-4H,1-2H2
InChIKeyWASDPTJNOGPVDM-UHFFFAOYSA-N
XLogP0.12
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.11
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-4H-imidazol-5-one?
The IUPAC name of 1-(2,2-difluoroethyl)-4H-imidazol-5-one (CID 173378999) is 1-(2,2-difluoroethyl)-4H-imidazol-5-one.
What is the SMILES notation for 1-(2,2-difluoroethyl)-4H-imidazol-5-one?
The canonical SMILES for 1-(2,2-difluoroethyl)-4H-imidazol-5-one is O=C1CN=CN1CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-4H-imidazol-5-one?
The InChIKey is WASDPTJNOGPVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N2O/c6-4(7)2-9-3-8-1-5(9)10/h3-4H,1-2H2.
What are the key properties of 1-(2,2-difluoroethyl)-4H-imidazol-5-one?
1-(2,2-difluoroethyl)-4H-imidazol-5-one has a molecular weight of 148.11 g/mol, XLogP of 0.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-4H-imidazol-5-one is sourced from PubChem (CID 173378999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).