2,2,2-trifluoro-1-[1-methyl-2-(3-methylpyrazol-1-yl)cyclopropyl]ethanone

C10H11F3N2O — CID 123745151

IUPAC2,2,2-trifluoro-1-[1-methyl-2-(3-methylpyrazol-1-yl)cyclopropyl]ethanone
SMILESCc1ccn(C2CC2(C)C(=O)C(F)(F)F)n1
InChIInChI=1S/C10H11F3N2O/c1-6-3-4-15(14-6)7-5-9(7,2)8(16)10(11,12)13/h3-4,7H,5H2,1-2H3
InChIKeyQVQQAQZUKFVUHB-UHFFFAOYSA-N
MW232.20 g/mol
LogP2.27
Rot. Bonds2

About 2,2,2-trifluoro-1-[1-methyl-2-(3-methylpyrazol-1-yl)cyclopropyl]ethanone

2,2,2-trifluoro-1-[1-methyl-2-(3-methylpyrazol-1-yl)cyclopropyl]ethanone (PubChem CID 123745151) has the molecular formula C10H11F3N2O and a molecular weight of 232.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[1-methyl-2-(3-methylpyrazol-1-yl)cyclopropyl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[1-methyl-2-(3-methylpyrazol-1-yl)cyclopropyl]ethanone
PubChem CID123745151
Molecular FormulaC10H11F3N2O
Molecular Weight232.20 g/mol
Exact Mass232.08
IUPAC Name2,2,2-trifluoro-1-[1-methyl-2-(3-methylpyrazol-1-yl)cyclopropyl]ethanone
SMILESCc1ccn(C2CC2(C)C(=O)C(F)(F)F)n1
InChIInChI=1S/C10H11F3N2O/c1-6-3-4-15(14-6)7-5-9(7,2)8(16)10(11,12)13/h3-4,7H,5H2,1-2H3
InChIKeyQVQQAQZUKFVUHB-UHFFFAOYSA-N
XLogP2.27
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[1-methyl-2-(3-methylpyrazol-1-yl)cyclopropyl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[1-methyl-2-(3-methylpyrazol-1-yl)cyclopropyl]ethanone (CID 123745151) is 2,2,2-trifluoro-1-[1-methyl-2-(3-methylpyrazol-1-yl)cyclopropyl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[1-methyl-2-(3-methylpyrazol-1-yl)cyclopropyl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[1-methyl-2-(3-methylpyrazol-1-yl)cyclopropyl]ethanone is Cc1ccn(C2CC2(C)C(=O)C(F)(F)F)n1.
What is the InChIKey of 2,2,2-trifluoro-1-[1-methyl-2-(3-methylpyrazol-1-yl)cyclopropyl]ethanone?
The InChIKey is QVQQAQZUKFVUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c1-6-3-4-15(14-6)7-5-9(7,2)8(16)10(11,12)13/h3-4,7H,5H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-1-[1-methyl-2-(3-methylpyrazol-1-yl)cyclopropyl]ethanone?
2,2,2-trifluoro-1-[1-methyl-2-(3-methylpyrazol-1-yl)cyclopropyl]ethanone has a molecular weight of 232.20 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[1-methyl-2-(3-methylpyrazol-1-yl)cyclopropyl]ethanone is sourced from PubChem (CID 123745151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).