2,2,2-trifluoro-1-imidazolidin-1-ylethanone

C5H7F3N2O — CID 44558723

IUPAC2,2,2-trifluoro-1-imidazolidin-1-ylethanone
SMILESO=C(N1CCNC1)C(F)(F)F
InChIInChI=1S/C5H7F3N2O/c6-5(7,8)4(11)10-2-1-9-3-10/h9H,1-3H2
InChIKeyAVUNHAPICSXIOI-UHFFFAOYSA-N
MW168.12 g/mol
LogP-0.06
Rot. Bonds

About 2,2,2-trifluoro-1-imidazolidin-1-ylethanone

2,2,2-trifluoro-1-imidazolidin-1-ylethanone (PubChem CID 44558723) has the molecular formula C5H7F3N2O and a molecular weight of 168.12 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-imidazolidin-1-ylethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-imidazolidin-1-ylethanone
PubChem CID44558723
Molecular FormulaC5H7F3N2O
Molecular Weight168.12 g/mol
Exact Mass168.05
IUPAC Name2,2,2-trifluoro-1-imidazolidin-1-ylethanone
SMILESO=C(N1CCNC1)C(F)(F)F
InChIInChI=1S/C5H7F3N2O/c6-5(7,8)4(11)10-2-1-9-3-10/h9H,1-3H2
InChIKeyAVUNHAPICSXIOI-UHFFFAOYSA-N
XLogP-0.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.12
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-imidazolidin-1-ylethanone?
The IUPAC name of 2,2,2-trifluoro-1-imidazolidin-1-ylethanone (CID 44558723) is 2,2,2-trifluoro-1-imidazolidin-1-ylethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-imidazolidin-1-ylethanone?
The canonical SMILES for 2,2,2-trifluoro-1-imidazolidin-1-ylethanone is O=C(N1CCNC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-imidazolidin-1-ylethanone?
The InChIKey is AVUNHAPICSXIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N2O/c6-5(7,8)4(11)10-2-1-9-3-10/h9H,1-3H2.
What are the key properties of 2,2,2-trifluoro-1-imidazolidin-1-ylethanone?
2,2,2-trifluoro-1-imidazolidin-1-ylethanone has a molecular weight of 168.12 g/mol, XLogP of -0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-imidazolidin-1-ylethanone is sourced from PubChem (CID 44558723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).