1-(4,4,4-trifluorobutyl)imidazolidin-2-one

C7H11F3N2O — CID 54153630

IUPAC1-(4,4,4-trifluorobutyl)imidazolidin-2-one
SMILESO=C1NCCN1CCCC(F)(F)F
InChIInChI=1S/C7H11F3N2O/c8-7(9,10)2-1-4-12-5-3-11-6(12)13/h1-5H2,(H,11,13)
InChIKeyOJMMBBHPQIBOGC-UHFFFAOYSA-N
MW196.17 g/mol
LogP1.35
Rot. Bonds3

About 1-(4,4,4-trifluorobutyl)imidazolidin-2-one

1-(4,4,4-trifluorobutyl)imidazolidin-2-one (PubChem CID 54153630) has the molecular formula C7H11F3N2O and a molecular weight of 196.17 g/mol. Its IUPAC name is 1-(4,4,4-trifluorobutyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(4,4,4-trifluorobutyl)imidazolidin-2-one
PubChem CID54153630
Molecular FormulaC7H11F3N2O
Molecular Weight196.17 g/mol
Exact Mass196.08
IUPAC Name1-(4,4,4-trifluorobutyl)imidazolidin-2-one
SMILESO=C1NCCN1CCCC(F)(F)F
InChIInChI=1S/C7H11F3N2O/c8-7(9,10)2-1-4-12-5-3-11-6(12)13/h1-5H2,(H,11,13)
InChIKeyOJMMBBHPQIBOGC-UHFFFAOYSA-N
XLogP1.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4,4-trifluorobutyl)imidazolidin-2-one?
The IUPAC name of 1-(4,4,4-trifluorobutyl)imidazolidin-2-one (CID 54153630) is 1-(4,4,4-trifluorobutyl)imidazolidin-2-one.
What is the SMILES notation for 1-(4,4,4-trifluorobutyl)imidazolidin-2-one?
The canonical SMILES for 1-(4,4,4-trifluorobutyl)imidazolidin-2-one is O=C1NCCN1CCCC(F)(F)F.
What is the InChIKey of 1-(4,4,4-trifluorobutyl)imidazolidin-2-one?
The InChIKey is OJMMBBHPQIBOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O/c8-7(9,10)2-1-4-12-5-3-11-6(12)13/h1-5H2,(H,11,13).
What are the key properties of 1-(4,4,4-trifluorobutyl)imidazolidin-2-one?
1-(4,4,4-trifluorobutyl)imidazolidin-2-one has a molecular weight of 196.17 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4,4-trifluorobutyl)imidazolidin-2-one is sourced from PubChem (CID 54153630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).