2,2,2-trifluoro-1-pyrazol-1-ylethanone

C5H3F3N2O — CID 3454080

IUPAC2,2,2-trifluoro-1-pyrazol-1-ylethanone
SMILESO=C(n1cccn1)C(F)(F)F
InChIInChI=1S/C5H3F3N2O/c6-5(7,8)4(11)10-3-1-2-9-10/h1-3H
InChIKeyINDDUZGKAYXNIT-UHFFFAOYSA-N
MW164.09 g/mol
LogP1.09
Rot. Bonds

About 2,2,2-trifluoro-1-pyrazol-1-ylethanone

2,2,2-trifluoro-1-pyrazol-1-ylethanone (PubChem CID 3454080) has the molecular formula C5H3F3N2O and a molecular weight of 164.09 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-pyrazol-1-ylethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-pyrazol-1-ylethanone
PubChem CID3454080
Molecular FormulaC5H3F3N2O
Molecular Weight164.09 g/mol
Exact Mass164.02
IUPAC Name2,2,2-trifluoro-1-pyrazol-1-ylethanone
SMILESO=C(n1cccn1)C(F)(F)F
InChIInChI=1S/C5H3F3N2O/c6-5(7,8)4(11)10-3-1-2-9-10/h1-3H
InChIKeyINDDUZGKAYXNIT-UHFFFAOYSA-N
XLogP1.09
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.09
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(trifluoromethyl)-1H-pyrazole
CID 18981687
1-(2,2,2-trifluoroethyl)-1H-pyrazole
CID 22747510
1-(1H-Pyrazol-1-yl)ethanone
CID 549278
1-(difluoromethyl)-1H-pyrazole
CID 5253348
1-(2,2-difluoroethyl)-1H-pyrazole
CID 25247479
Pyrazole-3(4)-carbaldehyde
CID 22054419
Tetrafluoroethyl 1h pyrazol
CID 67379177
2-Chloro-1-pyrazol-1-yl-ethanone
CID 3140850
Trifluoromethyl 1h pyrazole hydrochloride
CID 129815011
1-[3-(Difluoromethyl)pyrazol-1-yl]ethanone
CID 154716540
Propiolyl pyrazole
CID 13511543
3-Oxo-3-(1h-pyrazole-1-yl)propane
CID 3465234

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-pyrazol-1-ylethanone?
The IUPAC name of 2,2,2-trifluoro-1-pyrazol-1-ylethanone (CID 3454080) is 2,2,2-trifluoro-1-pyrazol-1-ylethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-pyrazol-1-ylethanone?
The canonical SMILES for 2,2,2-trifluoro-1-pyrazol-1-ylethanone is O=C(n1cccn1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-pyrazol-1-ylethanone?
The InChIKey is INDDUZGKAYXNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3N2O/c6-5(7,8)4(11)10-3-1-2-9-10/h1-3H.
What are the key properties of 2,2,2-trifluoro-1-pyrazol-1-ylethanone?
2,2,2-trifluoro-1-pyrazol-1-ylethanone has a molecular weight of 164.09 g/mol, XLogP of 1.09, 0 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-pyrazol-1-ylethanone is sourced from PubChem (CID 3454080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).