1-ethyl-3-(3,3,3-trifluoropropyl)imidazol-2-one

C8H11F3N2O — CID 116624294

IUPAC1-ethyl-3-(3,3,3-trifluoropropyl)imidazol-2-one
SMILESCCn1ccn(CCC(F)(F)F)c1=O
InChIInChI=1S/C8H11F3N2O/c1-2-12-5-6-13(7(12)14)4-3-8(9,10)11/h5-6H,2-4H2,1H3
InChIKeyMMZHPXLLPIJNJD-UHFFFAOYSA-N
MW208.18 g/mol
LogP1.62
Rot. Bonds3

About 1-ethyl-3-(3,3,3-trifluoropropyl)imidazol-2-one

1-ethyl-3-(3,3,3-trifluoropropyl)imidazol-2-one (PubChem CID 116624294) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is 1-ethyl-3-(3,3,3-trifluoropropyl)imidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-(3,3,3-trifluoropropyl)imidazol-2-one
PubChem CID116624294
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name1-ethyl-3-(3,3,3-trifluoropropyl)imidazol-2-one
SMILESCCn1ccn(CCC(F)(F)F)c1=O
InChIInChI=1S/C8H11F3N2O/c1-2-12-5-6-13(7(12)14)4-3-8(9,10)11/h5-6H,2-4H2,1H3
InChIKeyMMZHPXLLPIJNJD-UHFFFAOYSA-N
XLogP1.62
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3,3,3-trifluoropropyl)imidazol-2-one?
The IUPAC name of 1-ethyl-3-(3,3,3-trifluoropropyl)imidazol-2-one (CID 116624294) is 1-ethyl-3-(3,3,3-trifluoropropyl)imidazol-2-one.
What is the SMILES notation for 1-ethyl-3-(3,3,3-trifluoropropyl)imidazol-2-one?
The canonical SMILES for 1-ethyl-3-(3,3,3-trifluoropropyl)imidazol-2-one is CCn1ccn(CCC(F)(F)F)c1=O.
What is the InChIKey of 1-ethyl-3-(3,3,3-trifluoropropyl)imidazol-2-one?
The InChIKey is MMZHPXLLPIJNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-2-12-5-6-13(7(12)14)4-3-8(9,10)11/h5-6H,2-4H2,1H3.
What are the key properties of 1-ethyl-3-(3,3,3-trifluoropropyl)imidazol-2-one?
1-ethyl-3-(3,3,3-trifluoropropyl)imidazol-2-one has a molecular weight of 208.18 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3,3,3-trifluoropropyl)imidazol-2-one is sourced from PubChem (CID 116624294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).