5-imino-4,4-bis(trifluoromethyl)imidazolidin-2-one

C5H3F6N3O — CID 154425793

IUPAC5-imino-4,4-bis(trifluoromethyl)imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)NC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H3F6N3O/c6-4(7,8)3(5(9,10)11)1(12)13-2(15)14-3/h(H3,12,13,14,15)
InChIKeyKUYUQJBJKGIQFE-UHFFFAOYSA-N
MW235.09 g/mol
LogP1.14
Rot. Bonds

About 5-imino-4,4-bis(trifluoromethyl)imidazolidin-2-one

5-imino-4,4-bis(trifluoromethyl)imidazolidin-2-one (PubChem CID 154425793) has the molecular formula C5H3F6N3O and a molecular weight of 235.09 g/mol. Its IUPAC name is 5-imino-4,4-bis(trifluoromethyl)imidazolidin-2-one.

Molecular Properties

Compound Name5-imino-4,4-bis(trifluoromethyl)imidazolidin-2-one
PubChem CID154425793
Molecular FormulaC5H3F6N3O
Molecular Weight235.09 g/mol
Exact Mass235.02
IUPAC Name5-imino-4,4-bis(trifluoromethyl)imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)NC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H3F6N3O/c6-4(7,8)3(5(9,10)11)1(12)13-2(15)14-3/h(H3,12,13,14,15)
InChIKeyKUYUQJBJKGIQFE-UHFFFAOYSA-N
XLogP1.14
TPSA64.98 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.09
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-imino-4,4-bis(trifluoromethyl)imidazolidin-2-one?
The IUPAC name of 5-imino-4,4-bis(trifluoromethyl)imidazolidin-2-one (CID 154425793) is 5-imino-4,4-bis(trifluoromethyl)imidazolidin-2-one.
What is the SMILES notation for 5-imino-4,4-bis(trifluoromethyl)imidazolidin-2-one?
The canonical SMILES for 5-imino-4,4-bis(trifluoromethyl)imidazolidin-2-one is [H]/N=C1\NC(=O)NC1(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 5-imino-4,4-bis(trifluoromethyl)imidazolidin-2-one?
The InChIKey is KUYUQJBJKGIQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F6N3O/c6-4(7,8)3(5(9,10)11)1(12)13-2(15)14-3/h(H3,12,13,14,15).
What are the key properties of 5-imino-4,4-bis(trifluoromethyl)imidazolidin-2-one?
5-imino-4,4-bis(trifluoromethyl)imidazolidin-2-one has a molecular weight of 235.09 g/mol, XLogP of 1.14, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-4,4-bis(trifluoromethyl)imidazolidin-2-one is sourced from PubChem (CID 154425793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).