4-(difluoromethyl)-1-methylimidazolidin-2-one

C5H8F2N2O — CID 67253254

IUPAC4-(difluoromethyl)-1-methylimidazolidin-2-one
SMILESCN1CC(C(F)F)NC1=O
InChIInChI=1S/C5H8F2N2O/c1-9-2-3(4(6)7)8-5(9)10/h3-4H,2H2,1H3,(H,8,10)
InChIKeyRKFDOAWIVAFYHR-UHFFFAOYSA-N
MW150.13 g/mol
LogP0.28
Rot. Bonds1

About 4-(difluoromethyl)-1-methylimidazolidin-2-one

4-(difluoromethyl)-1-methylimidazolidin-2-one (PubChem CID 67253254) has the molecular formula C5H8F2N2O and a molecular weight of 150.13 g/mol. Its IUPAC name is 4-(difluoromethyl)-1-methylimidazolidin-2-one.

Molecular Properties

Compound Name4-(difluoromethyl)-1-methylimidazolidin-2-one
PubChem CID67253254
Molecular FormulaC5H8F2N2O
Molecular Weight150.13 g/mol
Exact Mass150.06
IUPAC Name4-(difluoromethyl)-1-methylimidazolidin-2-one
SMILESCN1CC(C(F)F)NC1=O
InChIInChI=1S/C5H8F2N2O/c1-9-2-3(4(6)7)8-5(9)10/h3-4H,2H2,1H3,(H,8,10)
InChIKeyRKFDOAWIVAFYHR-UHFFFAOYSA-N
XLogP0.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.13
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1-methylimidazolidin-2-one?
The IUPAC name of 4-(difluoromethyl)-1-methylimidazolidin-2-one (CID 67253254) is 4-(difluoromethyl)-1-methylimidazolidin-2-one.
What is the SMILES notation for 4-(difluoromethyl)-1-methylimidazolidin-2-one?
The canonical SMILES for 4-(difluoromethyl)-1-methylimidazolidin-2-one is CN1CC(C(F)F)NC1=O.
What is the InChIKey of 4-(difluoromethyl)-1-methylimidazolidin-2-one?
The InChIKey is RKFDOAWIVAFYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N2O/c1-9-2-3(4(6)7)8-5(9)10/h3-4H,2H2,1H3,(H,8,10).
What are the key properties of 4-(difluoromethyl)-1-methylimidazolidin-2-one?
4-(difluoromethyl)-1-methylimidazolidin-2-one has a molecular weight of 150.13 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1-methylimidazolidin-2-one is sourced from PubChem (CID 67253254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).