ethyl 2,2-difluoro-2-pyrimidin-2-ylacetate

C8H8F2N2O2 — CID 10774458

IUPACethyl 2,2-difluoro-2-pyrimidin-2-ylacetate
SMILESCCOC(=O)C(F)(F)c1ncccn1
InChIInChI=1S/C8H8F2N2O2/c1-2-14-7(13)8(9,10)6-11-4-3-5-12-6/h3-5H,2H2,1H3
InChIKeyXZZQVDKUVZPVOO-UHFFFAOYSA-N
MW202.16 g/mol
LogP1.13
Rot. Bonds3

About ethyl 2,2-difluoro-2-pyrimidin-2-ylacetate

ethyl 2,2-difluoro-2-pyrimidin-2-ylacetate (PubChem CID 10774458) has the molecular formula C8H8F2N2O2 and a molecular weight of 202.16 g/mol. Its IUPAC name is ethyl 2,2-difluoro-2-pyrimidin-2-ylacetate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-2-pyrimidin-2-ylacetate
PubChem CID10774458
Molecular FormulaC8H8F2N2O2
Molecular Weight202.16 g/mol
Exact Mass202.06
IUPAC Nameethyl 2,2-difluoro-2-pyrimidin-2-ylacetate
SMILESCCOC(=O)C(F)(F)c1ncccn1
InChIInChI=1S/C8H8F2N2O2/c1-2-14-7(13)8(9,10)6-11-4-3-5-12-6/h3-5H,2H2,1H3
InChIKeyXZZQVDKUVZPVOO-UHFFFAOYSA-N
XLogP1.13
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-2-pyrimidin-2-ylacetate?
The IUPAC name of ethyl 2,2-difluoro-2-pyrimidin-2-ylacetate (CID 10774458) is ethyl 2,2-difluoro-2-pyrimidin-2-ylacetate.
What is the SMILES notation for ethyl 2,2-difluoro-2-pyrimidin-2-ylacetate?
The canonical SMILES for ethyl 2,2-difluoro-2-pyrimidin-2-ylacetate is CCOC(=O)C(F)(F)c1ncccn1.
What is the InChIKey of ethyl 2,2-difluoro-2-pyrimidin-2-ylacetate?
The InChIKey is XZZQVDKUVZPVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O2/c1-2-14-7(13)8(9,10)6-11-4-3-5-12-6/h3-5H,2H2,1H3.
What are the key properties of ethyl 2,2-difluoro-2-pyrimidin-2-ylacetate?
ethyl 2,2-difluoro-2-pyrimidin-2-ylacetate has a molecular weight of 202.16 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-2-pyrimidin-2-ylacetate is sourced from PubChem (CID 10774458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).