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

Analyze ethyl 2,2-difluoro-2-pyrimidin-2-ylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Piperazinepropanoic acid, beta-methyl-4-(2-pyrimidinyl)-, ethyl ester
CID 3074861
2-Pyrimidineacetic Acid
CID 12367098
2-Pyrimidineacetic acid ethyl ester
CID 12367105
2-Pyrimidinecarboxylic acid, ethyl ester
CID 13360715
Methyl 2-(pyrimidin-2-yl)acetate
CID 12420762
Ethyl 2-(5-bromopyrimidin-2-yl)acetate
CID 45789883
Methyl 4-methyl-2-pyrimidineacetate
CID 77134633
2,2-Difluoro-2-(pyrimidin-2-yl)acetic acid
CID 84654803
2-(2,2-Dimethoxyethyl)pyrimidine
CID 122163253
Trifluoromethyl pyrimidine carboxylate
CID 144376397
Diethyl (pyrimidin-2-yl)propanedioate
CID 2303274
Methyl 2-(5-fluoropyrimidin-2-yl)acetate
CID 70701064

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).