ethyl 2,2-difluoro-2-[5-(1-hydroxyethyl)-2-pyridinyl]acetate

C11H13F2NO3 — CID 71176911

IUPACethyl 2,2-difluoro-2-[5-(1-hydroxyethyl)-2-pyridinyl]acetate
SMILESCCOC(=O)C(F)(F)c1ccc(C(C)O)cn1
InChIInChI=1S/C11H13F2NO3/c1-3-17-10(16)11(12,13)9-5-4-8(6-14-9)7(2)15/h4-7,15H,3H2,1-2H3
InChIKeyKORCBQMWSYLXIT-UHFFFAOYSA-N
MW245.22 g/mol
LogP1.79
Rot. Bonds4

About ethyl 2,2-difluoro-2-[5-(1-hydroxyethyl)-2-pyridinyl]acetate

ethyl 2,2-difluoro-2-[5-(1-hydroxyethyl)-2-pyridinyl]acetate (PubChem CID 71176911) has the molecular formula C11H13F2NO3 and a molecular weight of 245.22 g/mol. Its IUPAC name is ethyl 2,2-difluoro-2-[5-(1-hydroxyethyl)-2-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-2-[5-(1-hydroxyethyl)-2-pyridinyl]acetate
PubChem CID71176911
Molecular FormulaC11H13F2NO3
Molecular Weight245.22 g/mol
Exact Mass245.09
IUPAC Nameethyl 2,2-difluoro-2-[5-(1-hydroxyethyl)-2-pyridinyl]acetate
SMILESCCOC(=O)C(F)(F)c1ccc(C(C)O)cn1
InChIInChI=1S/C11H13F2NO3/c1-3-17-10(16)11(12,13)9-5-4-8(6-14-9)7(2)15/h4-7,15H,3H2,1-2H3
InChIKeyKORCBQMWSYLXIT-UHFFFAOYSA-N
XLogP1.79
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-2-[5-(1-hydroxyethyl)-2-pyridinyl]acetate?
The IUPAC name of ethyl 2,2-difluoro-2-[5-(1-hydroxyethyl)-2-pyridinyl]acetate (CID 71176911) is ethyl 2,2-difluoro-2-[5-(1-hydroxyethyl)-2-pyridinyl]acetate.
What is the SMILES notation for ethyl 2,2-difluoro-2-[5-(1-hydroxyethyl)-2-pyridinyl]acetate?
The canonical SMILES for ethyl 2,2-difluoro-2-[5-(1-hydroxyethyl)-2-pyridinyl]acetate is CCOC(=O)C(F)(F)c1ccc(C(C)O)cn1.
What is the InChIKey of ethyl 2,2-difluoro-2-[5-(1-hydroxyethyl)-2-pyridinyl]acetate?
The InChIKey is KORCBQMWSYLXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO3/c1-3-17-10(16)11(12,13)9-5-4-8(6-14-9)7(2)15/h4-7,15H,3H2,1-2H3.
What are the key properties of ethyl 2,2-difluoro-2-[5-(1-hydroxyethyl)-2-pyridinyl]acetate?
ethyl 2,2-difluoro-2-[5-(1-hydroxyethyl)-2-pyridinyl]acetate has a molecular weight of 245.22 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-2-[5-(1-hydroxyethyl)-2-pyridinyl]acetate is sourced from PubChem (CID 71176911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).