1,1,1-trifluoro-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one

C9H11F3N2O — CID 64773512

IUPAC1,1,1-trifluoro-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one
SMILESCC(C)n1ccc(CC(=O)C(F)(F)F)n1
InChIInChI=1S/C9H11F3N2O/c1-6(2)14-4-3-7(13-14)5-8(15)9(10,11)12/h3-4,6H,5H2,1-2H3
InChIKeyPSLFNPFNHYYBSK-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.14
Rot. Bonds3

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

1,1,1-trifluoro-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one (PubChem CID 64773512) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one
PubChem CID64773512
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name1,1,1-trifluoro-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one
SMILESCC(C)n1ccc(CC(=O)C(F)(F)F)n1
InChIInChI=1S/C9H11F3N2O/c1-6(2)14-4-3-7(13-14)5-8(15)9(10,11)12/h3-4,6H,5H2,1-2H3
InChIKeyPSLFNPFNHYYBSK-UHFFFAOYSA-N
XLogP2.14
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.14
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-propan-2-ylpyrazol-3-yl)propan-2-one?
The IUPAC name of 1,1,1-trifluoro-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one (CID 64773512) is 1,1,1-trifluoro-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one.
What is the SMILES notation for 1,1,1-trifluoro-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one?
The canonical SMILES for 1,1,1-trifluoro-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one is CC(C)n1ccc(CC(=O)C(F)(F)F)n1.
What is the InChIKey of 1,1,1-trifluoro-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one?
The InChIKey is PSLFNPFNHYYBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-6(2)14-4-3-7(13-14)5-8(15)9(10,11)12/h3-4,6H,5H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one?
1,1,1-trifluoro-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one has a molecular weight of 220.19 g/mol, XLogP of 2.14, 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-propan-2-ylpyrazol-3-yl)propan-2-one is sourced from PubChem (CID 64773512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).