1-(2,5-dimethylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one

C11H14F4N2O2 — CID 103473678

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one
SMILESCc1cc(CC(=O)COCC(F)(F)C(F)F)n(C)n1
InChIInChI=1S/C11H14F4N2O2/c1-7-3-8(17(2)16-7)4-9(18)5-19-6-11(14,15)10(12)13/h3,10H,4-6H2,1-2H3
InChIKeyIBTZTDJRCMGKEB-UHFFFAOYSA-N
MW282.24 g/mol
LogP1.76
Rot. Bonds7

About 1-(2,5-dimethylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one

1-(2,5-dimethylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one (PubChem CID 103473678) has the molecular formula C11H14F4N2O2 and a molecular weight of 282.24 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one
PubChem CID103473678
Molecular FormulaC11H14F4N2O2
Molecular Weight282.24 g/mol
Exact Mass282.10
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one
SMILESCc1cc(CC(=O)COCC(F)(F)C(F)F)n(C)n1
InChIInChI=1S/C11H14F4N2O2/c1-7-3-8(17(2)16-7)4-9(18)5-19-6-11(14,15)10(12)13/h3,10H,4-6H2,1-2H3
InChIKeyIBTZTDJRCMGKEB-UHFFFAOYSA-N
XLogP1.76
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.24
LogP ≤ 51.76
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-(2,5-dimethylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one (CID 103473678) is 1-(2,5-dimethylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one is Cc1cc(CC(=O)COCC(F)(F)C(F)F)n(C)n1.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one?
The InChIKey is IBTZTDJRCMGKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F4N2O2/c1-7-3-8(17(2)16-7)4-9(18)5-19-6-11(14,15)10(12)13/h3,10H,4-6H2,1-2H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one?
1-(2,5-dimethylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one has a molecular weight of 282.24 g/mol, XLogP of 1.76, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one is sourced from PubChem (CID 103473678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).