4-(trifluoromethoxy)imidazolidin-2-one

C4H5F3N2O2 — CID 123243354

IUPAC4-(trifluoromethoxy)imidazolidin-2-one
SMILESO=C1NCC(OC(F)(F)F)N1
InChIInChI=1S/C4H5F3N2O2/c5-4(6,7)11-2-1-8-3(10)9-2/h2H,1H2,(H2,8,9,10)
InChIKeyAKBYFFCLSUSPGT-UHFFFAOYSA-N
MW170.09 g/mol
LogP0.16
Rot. Bonds1

About 4-(trifluoromethoxy)imidazolidin-2-one

4-(trifluoromethoxy)imidazolidin-2-one (PubChem CID 123243354) has the molecular formula C4H5F3N2O2 and a molecular weight of 170.09 g/mol. Its IUPAC name is 4-(trifluoromethoxy)imidazolidin-2-one.

Molecular Properties

Compound Name4-(trifluoromethoxy)imidazolidin-2-one
PubChem CID123243354
Molecular FormulaC4H5F3N2O2
Molecular Weight170.09 g/mol
Exact Mass170.03
IUPAC Name4-(trifluoromethoxy)imidazolidin-2-one
SMILESO=C1NCC(OC(F)(F)F)N1
InChIInChI=1S/C4H5F3N2O2/c5-4(6,7)11-2-1-8-3(10)9-2/h2H,1H2,(H2,8,9,10)
InChIKeyAKBYFFCLSUSPGT-UHFFFAOYSA-N
XLogP0.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.09
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methoxy-2-imidazolidinone
CID 55303812
4-(Trifluoromethoxy)imidazolidine
CID 67259209
1-(2-(Trifluoromethoxy)ethyl)imidazolidin-2-one
CID 90427329
1-Methyl-5-(trifluoromethoxy)imidazolidin-2-one
CID 123288286
1-Methyl-4-(trifluoromethoxy)imidazolidin-2-one
CID 123405571
2-(Trifluoromethoxy)ethylurea
CID 131225743
5-Hydroxy-1-(trifluoromethyl)imidazolidin-2-one
CID 175829268
1-[2-(Difluoromethoxy)ethyl]imidazolidin-2-one
CID 177307004
1-[2-[2-(2,2,2-Trifluoroethoxy)ethylamino]ethyl]imidazolidin-2-one
CID 63827353
2-[2-(Trifluoromethoxy)ethylamino]ethylurea
CID 83113028
1-[2-(2,2-Difluoroethoxy)ethyl]imidazolidin-2-one
CID 105910400
1-[2-[2-(2,2-Difluoroethoxy)ethylamino]ethyl]imidazolidin-2-one
CID 105910865

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethoxy)imidazolidin-2-one?
The IUPAC name of 4-(trifluoromethoxy)imidazolidin-2-one (CID 123243354) is 4-(trifluoromethoxy)imidazolidin-2-one.
What is the SMILES notation for 4-(trifluoromethoxy)imidazolidin-2-one?
The canonical SMILES for 4-(trifluoromethoxy)imidazolidin-2-one is O=C1NCC(OC(F)(F)F)N1.
What is the InChIKey of 4-(trifluoromethoxy)imidazolidin-2-one?
The InChIKey is AKBYFFCLSUSPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3N2O2/c5-4(6,7)11-2-1-8-3(10)9-2/h2H,1H2,(H2,8,9,10).
What are the key properties of 4-(trifluoromethoxy)imidazolidin-2-one?
4-(trifluoromethoxy)imidazolidin-2-one has a molecular weight of 170.09 g/mol, XLogP of 0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethoxy)imidazolidin-2-one is sourced from PubChem (CID 123243354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).