ethyl 2-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)acetate

C10H15FN2O2 — CID 81297603

IUPACethyl 2-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)acetate
SMILESCCOC(=O)C(F)n1nc(C)c(C)c1C
InChIInChI=1S/C10H15FN2O2/c1-5-15-10(14)9(11)13-8(4)6(2)7(3)12-13/h9H,5H2,1-4H3
InChIKeyRWYGUKDDQAJRFW-UHFFFAOYSA-N
MW214.24 g/mol
LogP1.84
Rot. Bonds3

About ethyl 2-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)acetate

ethyl 2-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)acetate (PubChem CID 81297603) has the molecular formula C10H15FN2O2 and a molecular weight of 214.24 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)acetate
PubChem CID81297603
Molecular FormulaC10H15FN2O2
Molecular Weight214.24 g/mol
Exact Mass214.11
IUPAC Nameethyl 2-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)acetate
SMILESCCOC(=O)C(F)n1nc(C)c(C)c1C
InChIInChI=1S/C10H15FN2O2/c1-5-15-10(14)9(11)13-8(4)6(2)7(3)12-13/h9H,5H2,1-4H3
InChIKeyRWYGUKDDQAJRFW-UHFFFAOYSA-N
XLogP1.84
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)acetate?
The IUPAC name of ethyl 2-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)acetate (CID 81297603) is ethyl 2-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)acetate.
What is the SMILES notation for ethyl 2-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)acetate?
The canonical SMILES for ethyl 2-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)acetate is CCOC(=O)C(F)n1nc(C)c(C)c1C.
What is the InChIKey of ethyl 2-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)acetate?
The InChIKey is RWYGUKDDQAJRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O2/c1-5-15-10(14)9(11)13-8(4)6(2)7(3)12-13/h9H,5H2,1-4H3.
What are the key properties of ethyl 2-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)acetate?
ethyl 2-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)acetate has a molecular weight of 214.24 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)acetate is sourced from PubChem (CID 81297603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).