2,2-difluoro-1-(1-pentan-2-ylpyrazol-4-yl)ethanone

C10H14F2N2O — CID 122192582

IUPAC2,2-difluoro-1-(1-pentan-2-ylpyrazol-4-yl)ethanone
SMILESCCCC(C)n1cc(C(=O)C(F)F)cn1
InChIInChI=1S/C10H14F2N2O/c1-3-4-7(2)14-6-8(5-13-14)9(15)10(11)12/h5-7,10H,3-4H2,1-2H3
InChIKeyQYQDDTYKNXOHKG-UHFFFAOYSA-N
MW216.23 g/mol
LogP2.69
Rot. Bonds5

About 2,2-difluoro-1-(1-pentan-2-ylpyrazol-4-yl)ethanone

2,2-difluoro-1-(1-pentan-2-ylpyrazol-4-yl)ethanone (PubChem CID 122192582) has the molecular formula C10H14F2N2O and a molecular weight of 216.23 g/mol. Its IUPAC name is 2,2-difluoro-1-(1-pentan-2-ylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-(1-pentan-2-ylpyrazol-4-yl)ethanone
PubChem CID122192582
Molecular FormulaC10H14F2N2O
Molecular Weight216.23 g/mol
Exact Mass216.11
IUPAC Name2,2-difluoro-1-(1-pentan-2-ylpyrazol-4-yl)ethanone
SMILESCCCC(C)n1cc(C(=O)C(F)F)cn1
InChIInChI=1S/C10H14F2N2O/c1-3-4-7(2)14-6-8(5-13-14)9(15)10(11)12/h5-7,10H,3-4H2,1-2H3
InChIKeyQYQDDTYKNXOHKG-UHFFFAOYSA-N
XLogP2.69
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(1-pentan-2-ylpyrazol-4-yl)ethanone?
The IUPAC name of 2,2-difluoro-1-(1-pentan-2-ylpyrazol-4-yl)ethanone (CID 122192582) is 2,2-difluoro-1-(1-pentan-2-ylpyrazol-4-yl)ethanone.
What is the SMILES notation for 2,2-difluoro-1-(1-pentan-2-ylpyrazol-4-yl)ethanone?
The canonical SMILES for 2,2-difluoro-1-(1-pentan-2-ylpyrazol-4-yl)ethanone is CCCC(C)n1cc(C(=O)C(F)F)cn1.
What is the InChIKey of 2,2-difluoro-1-(1-pentan-2-ylpyrazol-4-yl)ethanone?
The InChIKey is QYQDDTYKNXOHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O/c1-3-4-7(2)14-6-8(5-13-14)9(15)10(11)12/h5-7,10H,3-4H2,1-2H3.
What are the key properties of 2,2-difluoro-1-(1-pentan-2-ylpyrazol-4-yl)ethanone?
2,2-difluoro-1-(1-pentan-2-ylpyrazol-4-yl)ethanone has a molecular weight of 216.23 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(1-pentan-2-ylpyrazol-4-yl)ethanone is sourced from PubChem (CID 122192582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).