methyl 2-(5-ethenyl-1-methylpyrazol-3-yl)-2,2-difluoroacetate

C9H10F2N2O2 — CID 123312881

IUPACmethyl 2-(5-ethenyl-1-methylpyrazol-3-yl)-2,2-difluoroacetate
SMILESC=Cc1cc(C(F)(F)C(=O)OC)nn1C
InChIInChI=1S/C9H10F2N2O2/c1-4-6-5-7(12-13(6)2)9(10,11)8(14)15-3/h4-5H,1H2,2-3H3
InChIKeyCTZHFBMQWBXZOI-UHFFFAOYSA-N
MW216.19 g/mol
LogP1.33
Rot. Bonds3

About methyl 2-(5-ethenyl-1-methylpyrazol-3-yl)-2,2-difluoroacetate

methyl 2-(5-ethenyl-1-methylpyrazol-3-yl)-2,2-difluoroacetate (PubChem CID 123312881) has the molecular formula C9H10F2N2O2 and a molecular weight of 216.19 g/mol. Its IUPAC name is methyl 2-(5-ethenyl-1-methylpyrazol-3-yl)-2,2-difluoroacetate.

Molecular Properties

Compound Namemethyl 2-(5-ethenyl-1-methylpyrazol-3-yl)-2,2-difluoroacetate
PubChem CID123312881
Molecular FormulaC9H10F2N2O2
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC Namemethyl 2-(5-ethenyl-1-methylpyrazol-3-yl)-2,2-difluoroacetate
SMILESC=Cc1cc(C(F)(F)C(=O)OC)nn1C
InChIInChI=1S/C9H10F2N2O2/c1-4-6-5-7(12-13(6)2)9(10,11)8(14)15-3/h4-5H,1H2,2-3H3
InChIKeyCTZHFBMQWBXZOI-UHFFFAOYSA-N
XLogP1.33
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-ethenyl-1-methylpyrazol-3-yl)-2,2-difluoroacetate?
The IUPAC name of methyl 2-(5-ethenyl-1-methylpyrazol-3-yl)-2,2-difluoroacetate (CID 123312881) is methyl 2-(5-ethenyl-1-methylpyrazol-3-yl)-2,2-difluoroacetate.
What is the SMILES notation for methyl 2-(5-ethenyl-1-methylpyrazol-3-yl)-2,2-difluoroacetate?
The canonical SMILES for methyl 2-(5-ethenyl-1-methylpyrazol-3-yl)-2,2-difluoroacetate is C=Cc1cc(C(F)(F)C(=O)OC)nn1C.
What is the InChIKey of methyl 2-(5-ethenyl-1-methylpyrazol-3-yl)-2,2-difluoroacetate?
The InChIKey is CTZHFBMQWBXZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O2/c1-4-6-5-7(12-13(6)2)9(10,11)8(14)15-3/h4-5H,1H2,2-3H3.
What are the key properties of methyl 2-(5-ethenyl-1-methylpyrazol-3-yl)-2,2-difluoroacetate?
methyl 2-(5-ethenyl-1-methylpyrazol-3-yl)-2,2-difluoroacetate has a molecular weight of 216.19 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-ethenyl-1-methylpyrazol-3-yl)-2,2-difluoroacetate is sourced from PubChem (CID 123312881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).