1,1,1-trifluoro-3-(1-methyl-5-propan-2-ylimidazol-2-yl)propan-2-one

C10H13F3N2O — CID 171534070

IUPAC1,1,1-trifluoro-3-(1-methyl-5-propan-2-ylimidazol-2-yl)propan-2-one
SMILESCC(C)c1cnc(CC(=O)C(F)(F)F)n1C
InChIInChI=1S/C10H13F3N2O/c1-6(2)7-5-14-9(15(7)3)4-8(16)10(11,12)13/h5-6H,4H2,1-3H3
InChIKeyKCEVSWQHTPFIKZ-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.22
Rot. Bonds3

About 1,1,1-trifluoro-3-(1-methyl-5-propan-2-ylimidazol-2-yl)propan-2-one

1,1,1-trifluoro-3-(1-methyl-5-propan-2-ylimidazol-2-yl)propan-2-one (PubChem CID 171534070) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(1-methyl-5-propan-2-ylimidazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(1-methyl-5-propan-2-ylimidazol-2-yl)propan-2-one
PubChem CID171534070
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name1,1,1-trifluoro-3-(1-methyl-5-propan-2-ylimidazol-2-yl)propan-2-one
SMILESCC(C)c1cnc(CC(=O)C(F)(F)F)n1C
InChIInChI=1S/C10H13F3N2O/c1-6(2)7-5-14-9(15(7)3)4-8(16)10(11,12)13/h5-6H,4H2,1-3H3
InChIKeyKCEVSWQHTPFIKZ-UHFFFAOYSA-N
XLogP2.22
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(1-methyl-5-propan-2-ylimidazol-2-yl)propan-2-one?
The IUPAC name of 1,1,1-trifluoro-3-(1-methyl-5-propan-2-ylimidazol-2-yl)propan-2-one (CID 171534070) is 1,1,1-trifluoro-3-(1-methyl-5-propan-2-ylimidazol-2-yl)propan-2-one.
What is the SMILES notation for 1,1,1-trifluoro-3-(1-methyl-5-propan-2-ylimidazol-2-yl)propan-2-one?
The canonical SMILES for 1,1,1-trifluoro-3-(1-methyl-5-propan-2-ylimidazol-2-yl)propan-2-one is CC(C)c1cnc(CC(=O)C(F)(F)F)n1C.
What is the InChIKey of 1,1,1-trifluoro-3-(1-methyl-5-propan-2-ylimidazol-2-yl)propan-2-one?
The InChIKey is KCEVSWQHTPFIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-6(2)7-5-14-9(15(7)3)4-8(16)10(11,12)13/h5-6H,4H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-3-(1-methyl-5-propan-2-ylimidazol-2-yl)propan-2-one?
1,1,1-trifluoro-3-(1-methyl-5-propan-2-ylimidazol-2-yl)propan-2-one has a molecular weight of 234.22 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(1-methyl-5-propan-2-ylimidazol-2-yl)propan-2-one is sourced from PubChem (CID 171534070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).