4-(difluoromethyl)imidazolidin-2-one

C4H6F2N2O — CID 67255484

IUPAC4-(difluoromethyl)imidazolidin-2-one
SMILESO=C1NCC(C(F)F)N1
InChIInChI=1S/C4H6F2N2O/c5-3(6)2-1-7-4(9)8-2/h2-3H,1H2,(H2,7,8,9)
InChIKeyPYTMJTYLWWQAON-UHFFFAOYSA-N
MW136.10 g/mol
LogP-0.07
Rot. Bonds1

About 4-(difluoromethyl)imidazolidin-2-one

4-(difluoromethyl)imidazolidin-2-one (PubChem CID 67255484) has the molecular formula C4H6F2N2O and a molecular weight of 136.10 g/mol. Its IUPAC name is 4-(difluoromethyl)imidazolidin-2-one.

Molecular Properties

Compound Name4-(difluoromethyl)imidazolidin-2-one
PubChem CID67255484
Molecular FormulaC4H6F2N2O
Molecular Weight136.10 g/mol
Exact Mass136.04
IUPAC Name4-(difluoromethyl)imidazolidin-2-one
SMILESO=C1NCC(C(F)F)N1
InChIInChI=1S/C4H6F2N2O/c5-3(6)2-1-7-4(9)8-2/h2-3H,1H2,(H2,7,8,9)
InChIKeyPYTMJTYLWWQAON-UHFFFAOYSA-N
XLogP-0.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.10
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)imidazolidin-2-one?
The IUPAC name of 4-(difluoromethyl)imidazolidin-2-one (CID 67255484) is 4-(difluoromethyl)imidazolidin-2-one.
What is the SMILES notation for 4-(difluoromethyl)imidazolidin-2-one?
The canonical SMILES for 4-(difluoromethyl)imidazolidin-2-one is O=C1NCC(C(F)F)N1.
What is the InChIKey of 4-(difluoromethyl)imidazolidin-2-one?
The InChIKey is PYTMJTYLWWQAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2N2O/c5-3(6)2-1-7-4(9)8-2/h2-3H,1H2,(H2,7,8,9).
What are the key properties of 4-(difluoromethyl)imidazolidin-2-one?
4-(difluoromethyl)imidazolidin-2-one has a molecular weight of 136.10 g/mol, XLogP of -0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)imidazolidin-2-one is sourced from PubChem (CID 67255484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).