1-(2-ethylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone

C10H12F4N2O2 — CID 103473801

IUPAC1-(2-ethylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone
SMILESCCn1nccc1C(=O)COCC(F)(F)C(F)F
InChIInChI=1S/C10H12F4N2O2/c1-2-16-7(3-4-15-16)8(17)5-18-6-10(13,14)9(11)12/h3-4,9H,2,5-6H2,1H3
InChIKeySDFSZNDXXFJMES-UHFFFAOYSA-N
MW268.21 g/mol
LogP2.00
Rot. Bonds7

About 1-(2-ethylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone

1-(2-ethylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone (PubChem CID 103473801) has the molecular formula C10H12F4N2O2 and a molecular weight of 268.21 g/mol. Its IUPAC name is 1-(2-ethylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone.

Molecular Properties

Compound Name1-(2-ethylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone
PubChem CID103473801
Molecular FormulaC10H12F4N2O2
Molecular Weight268.21 g/mol
Exact Mass268.08
IUPAC Name1-(2-ethylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone
SMILESCCn1nccc1C(=O)COCC(F)(F)C(F)F
InChIInChI=1S/C10H12F4N2O2/c1-2-16-7(3-4-15-16)8(17)5-18-6-10(13,14)9(11)12/h3-4,9H,2,5-6H2,1H3
InChIKeySDFSZNDXXFJMES-UHFFFAOYSA-N
XLogP2.00
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.21
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone?
The IUPAC name of 1-(2-ethylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone (CID 103473801) is 1-(2-ethylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone.
What is the SMILES notation for 1-(2-ethylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone?
The canonical SMILES for 1-(2-ethylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone is CCn1nccc1C(=O)COCC(F)(F)C(F)F.
What is the InChIKey of 1-(2-ethylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone?
The InChIKey is SDFSZNDXXFJMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F4N2O2/c1-2-16-7(3-4-15-16)8(17)5-18-6-10(13,14)9(11)12/h3-4,9H,2,5-6H2,1H3.
What are the key properties of 1-(2-ethylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone?
1-(2-ethylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone has a molecular weight of 268.21 g/mol, XLogP of 2.00, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone is sourced from PubChem (CID 103473801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).