1-phenyl-2-sulfanylidene-5,5-bis(trifluoromethyl)imidazolidin-4-one

C11H6F6N2OS — CID 176507284

IUPAC1-phenyl-2-sulfanylidene-5,5-bis(trifluoromethyl)imidazolidin-4-one
SMILESO=C1NC(=S)N(c2ccccc2)C1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H6F6N2OS/c12-10(13,14)9(11(15,16)17)7(20)18-8(21)19(9)6-4-2-1-3-5-6/h1-5H,(H,18,20,21)
InChIKeyWJVWFXPNDLBYJM-UHFFFAOYSA-N
MW328.24 g/mol
LogP2.77
Rot. Bonds1

About 1-phenyl-2-sulfanylidene-5,5-bis(trifluoromethyl)imidazolidin-4-one

1-phenyl-2-sulfanylidene-5,5-bis(trifluoromethyl)imidazolidin-4-one (PubChem CID 176507284) has the molecular formula C11H6F6N2OS and a molecular weight of 328.24 g/mol. Its IUPAC name is 1-phenyl-2-sulfanylidene-5,5-bis(trifluoromethyl)imidazolidin-4-one.

Molecular Properties

Compound Name1-phenyl-2-sulfanylidene-5,5-bis(trifluoromethyl)imidazolidin-4-one
PubChem CID176507284
Molecular FormulaC11H6F6N2OS
Molecular Weight328.24 g/mol
Exact Mass328.01
IUPAC Name1-phenyl-2-sulfanylidene-5,5-bis(trifluoromethyl)imidazolidin-4-one
SMILESO=C1NC(=S)N(c2ccccc2)C1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H6F6N2OS/c12-10(13,14)9(11(15,16)17)7(20)18-8(21)19(9)6-4-2-1-3-5-6/h1-5H,(H,18,20,21)
InChIKeyWJVWFXPNDLBYJM-UHFFFAOYSA-N
XLogP2.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-sulfanylidene-5,5-bis(trifluoromethyl)imidazolidin-4-one?
The IUPAC name of 1-phenyl-2-sulfanylidene-5,5-bis(trifluoromethyl)imidazolidin-4-one (CID 176507284) is 1-phenyl-2-sulfanylidene-5,5-bis(trifluoromethyl)imidazolidin-4-one.
What is the SMILES notation for 1-phenyl-2-sulfanylidene-5,5-bis(trifluoromethyl)imidazolidin-4-one?
The canonical SMILES for 1-phenyl-2-sulfanylidene-5,5-bis(trifluoromethyl)imidazolidin-4-one is O=C1NC(=S)N(c2ccccc2)C1(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-phenyl-2-sulfanylidene-5,5-bis(trifluoromethyl)imidazolidin-4-one?
The InChIKey is WJVWFXPNDLBYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F6N2OS/c12-10(13,14)9(11(15,16)17)7(20)18-8(21)19(9)6-4-2-1-3-5-6/h1-5H,(H,18,20,21).
What are the key properties of 1-phenyl-2-sulfanylidene-5,5-bis(trifluoromethyl)imidazolidin-4-one?
1-phenyl-2-sulfanylidene-5,5-bis(trifluoromethyl)imidazolidin-4-one has a molecular weight of 328.24 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-sulfanylidene-5,5-bis(trifluoromethyl)imidazolidin-4-one is sourced from PubChem (CID 176507284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).