3,3,3-trifluoro-1-(2-methylimidazolidin-4-yl)propan-1-one

C7H11F3N2O — CID 141111347

IUPAC3,3,3-trifluoro-1-(2-methylimidazolidin-4-yl)propan-1-one
SMILESCC1NCC(C(=O)CC(F)(F)F)N1
InChIInChI=1S/C7H11F3N2O/c1-4-11-3-5(12-4)6(13)2-7(8,9)10/h4-5,11-12H,2-3H2,1H3
InChIKeyPMYAJRGYIAOGQH-UHFFFAOYSA-N
MW196.17 g/mol
LogP0.42
Rot. Bonds2

About 3,3,3-trifluoro-1-(2-methylimidazolidin-4-yl)propan-1-one

3,3,3-trifluoro-1-(2-methylimidazolidin-4-yl)propan-1-one (PubChem CID 141111347) has the molecular formula C7H11F3N2O and a molecular weight of 196.17 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(2-methylimidazolidin-4-yl)propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(2-methylimidazolidin-4-yl)propan-1-one
PubChem CID141111347
Molecular FormulaC7H11F3N2O
Molecular Weight196.17 g/mol
Exact Mass196.08
IUPAC Name3,3,3-trifluoro-1-(2-methylimidazolidin-4-yl)propan-1-one
SMILESCC1NCC(C(=O)CC(F)(F)F)N1
InChIInChI=1S/C7H11F3N2O/c1-4-11-3-5(12-4)6(13)2-7(8,9)10/h4-5,11-12H,2-3H2,1H3
InChIKeyPMYAJRGYIAOGQH-UHFFFAOYSA-N
XLogP0.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(2-methylimidazolidin-4-yl)propan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-(2-methylimidazolidin-4-yl)propan-1-one (CID 141111347) is 3,3,3-trifluoro-1-(2-methylimidazolidin-4-yl)propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-(2-methylimidazolidin-4-yl)propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-(2-methylimidazolidin-4-yl)propan-1-one is CC1NCC(C(=O)CC(F)(F)F)N1.
What is the InChIKey of 3,3,3-trifluoro-1-(2-methylimidazolidin-4-yl)propan-1-one?
The InChIKey is PMYAJRGYIAOGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O/c1-4-11-3-5(12-4)6(13)2-7(8,9)10/h4-5,11-12H,2-3H2,1H3.
What are the key properties of 3,3,3-trifluoro-1-(2-methylimidazolidin-4-yl)propan-1-one?
3,3,3-trifluoro-1-(2-methylimidazolidin-4-yl)propan-1-one has a molecular weight of 196.17 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(2-methylimidazolidin-4-yl)propan-1-one is sourced from PubChem (CID 141111347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).