ethyl 2-fluoro-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate

C10H9F4NO3 — CID 81296594

IUPACethyl 2-fluoro-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
SMILESCCOC(=O)C(F)n1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C10H9F4NO3/c1-2-18-9(17)8(11)15-5-6(10(12,13)14)3-4-7(15)16/h3-5,8H,2H2,1H3
InChIKeyMNRSBGDWMBBANT-UHFFFAOYSA-N
MW267.18 g/mol
LogP1.90
Rot. Bonds3

About ethyl 2-fluoro-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate

ethyl 2-fluoro-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate (PubChem CID 81296594) has the molecular formula C10H9F4NO3 and a molecular weight of 267.18 g/mol. Its IUPAC name is ethyl 2-fluoro-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
PubChem CID81296594
Molecular FormulaC10H9F4NO3
Molecular Weight267.18 g/mol
Exact Mass267.05
IUPAC Nameethyl 2-fluoro-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
SMILESCCOC(=O)C(F)n1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C10H9F4NO3/c1-2-18-9(17)8(11)15-5-6(10(12,13)14)3-4-7(15)16/h3-5,8H,2H2,1H3
InChIKeyMNRSBGDWMBBANT-UHFFFAOYSA-N
XLogP1.90
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.18
LogP ≤ 51.90
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-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate?
The IUPAC name of ethyl 2-fluoro-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate (CID 81296594) is ethyl 2-fluoro-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-fluoro-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate?
The canonical SMILES for ethyl 2-fluoro-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate is CCOC(=O)C(F)n1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of ethyl 2-fluoro-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate?
The InChIKey is MNRSBGDWMBBANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4NO3/c1-2-18-9(17)8(11)15-5-6(10(12,13)14)3-4-7(15)16/h3-5,8H,2H2,1H3.
What are the key properties of ethyl 2-fluoro-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate?
ethyl 2-fluoro-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate has a molecular weight of 267.18 g/mol, XLogP of 1.90, 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-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate is sourced from PubChem (CID 81296594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).