ethyl 2,2-difluoro-2-(6-fluoro-1H-indazol-5-yl)acetate

C11H9F3N2O2 — CID 118274594

IUPACethyl 2,2-difluoro-2-(6-fluoro-1H-indazol-5-yl)acetate
SMILESCCOC(=O)C(F)(F)c1cc2cn[nH]c2cc1F
InChIInChI=1S/C11H9F3N2O2/c1-2-18-10(17)11(13,14)7-3-6-5-15-16-9(6)4-8(7)12/h3-5H,2H2,1H3,(H,15,16)
InChIKeyKEUSNOQQDOZLNC-UHFFFAOYSA-N
MW258.20 g/mol
LogP2.36
Rot. Bonds3

About ethyl 2,2-difluoro-2-(6-fluoro-1H-indazol-5-yl)acetate

ethyl 2,2-difluoro-2-(6-fluoro-1H-indazol-5-yl)acetate (PubChem CID 118274594) has the molecular formula C11H9F3N2O2 and a molecular weight of 258.20 g/mol. Its IUPAC name is ethyl 2,2-difluoro-2-(6-fluoro-1H-indazol-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-2-(6-fluoro-1H-indazol-5-yl)acetate
PubChem CID118274594
Molecular FormulaC11H9F3N2O2
Molecular Weight258.20 g/mol
Exact Mass258.06
IUPAC Nameethyl 2,2-difluoro-2-(6-fluoro-1H-indazol-5-yl)acetate
SMILESCCOC(=O)C(F)(F)c1cc2cn[nH]c2cc1F
InChIInChI=1S/C11H9F3N2O2/c1-2-18-10(17)11(13,14)7-3-6-5-15-16-9(6)4-8(7)12/h3-5H,2H2,1H3,(H,15,16)
InChIKeyKEUSNOQQDOZLNC-UHFFFAOYSA-N
XLogP2.36
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-2-(6-fluoro-1H-indazol-5-yl)acetate?
The IUPAC name of ethyl 2,2-difluoro-2-(6-fluoro-1H-indazol-5-yl)acetate (CID 118274594) is ethyl 2,2-difluoro-2-(6-fluoro-1H-indazol-5-yl)acetate.
What is the SMILES notation for ethyl 2,2-difluoro-2-(6-fluoro-1H-indazol-5-yl)acetate?
The canonical SMILES for ethyl 2,2-difluoro-2-(6-fluoro-1H-indazol-5-yl)acetate is CCOC(=O)C(F)(F)c1cc2cn[nH]c2cc1F.
What is the InChIKey of ethyl 2,2-difluoro-2-(6-fluoro-1H-indazol-5-yl)acetate?
The InChIKey is KEUSNOQQDOZLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2/c1-2-18-10(17)11(13,14)7-3-6-5-15-16-9(6)4-8(7)12/h3-5H,2H2,1H3,(H,15,16).
What are the key properties of ethyl 2,2-difluoro-2-(6-fluoro-1H-indazol-5-yl)acetate?
ethyl 2,2-difluoro-2-(6-fluoro-1H-indazol-5-yl)acetate has a molecular weight of 258.20 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-2-(6-fluoro-1H-indazol-5-yl)acetate is sourced from PubChem (CID 118274594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).