3-[1-(trifluoromethyl)cyclopropyl]imidazolidine-2,4-dione

C7H7F3N2O2 — CID 106211085

IUPAC3-[1-(trifluoromethyl)cyclopropyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1C1(C(F)(F)F)CC1
InChIInChI=1S/C7H7F3N2O2/c8-7(9,10)6(1-2-6)12-4(13)3-11-5(12)14/h1-3H2,(H,11,14)
InChIKeyYWVCDWOIUKJEFC-UHFFFAOYSA-N
MW208.14 g/mol
LogP0.63
Rot. Bonds1

About 3-[1-(trifluoromethyl)cyclopropyl]imidazolidine-2,4-dione

3-[1-(trifluoromethyl)cyclopropyl]imidazolidine-2,4-dione (PubChem CID 106211085) has the molecular formula C7H7F3N2O2 and a molecular weight of 208.14 g/mol. Its IUPAC name is 3-[1-(trifluoromethyl)cyclopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(trifluoromethyl)cyclopropyl]imidazolidine-2,4-dione
PubChem CID106211085
Molecular FormulaC7H7F3N2O2
Molecular Weight208.14 g/mol
Exact Mass208.05
IUPAC Name3-[1-(trifluoromethyl)cyclopropyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1C1(C(F)(F)F)CC1
InChIInChI=1S/C7H7F3N2O2/c8-7(9,10)6(1-2-6)12-4(13)3-11-5(12)14/h1-3H2,(H,11,14)
InChIKeyYWVCDWOIUKJEFC-UHFFFAOYSA-N
XLogP0.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(trifluoromethyl)cyclopropyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-(trifluoromethyl)cyclopropyl]imidazolidine-2,4-dione (CID 106211085) is 3-[1-(trifluoromethyl)cyclopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(trifluoromethyl)cyclopropyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-(trifluoromethyl)cyclopropyl]imidazolidine-2,4-dione is O=C1CNC(=O)N1C1(C(F)(F)F)CC1.
What is the InChIKey of 3-[1-(trifluoromethyl)cyclopropyl]imidazolidine-2,4-dione?
The InChIKey is YWVCDWOIUKJEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2/c8-7(9,10)6(1-2-6)12-4(13)3-11-5(12)14/h1-3H2,(H,11,14).
What are the key properties of 3-[1-(trifluoromethyl)cyclopropyl]imidazolidine-2,4-dione?
3-[1-(trifluoromethyl)cyclopropyl]imidazolidine-2,4-dione has a molecular weight of 208.14 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(trifluoromethyl)cyclopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 106211085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).