ethane;ethyl 2,2-difluoro-2-pyrimidin-2-ylacetate

C10H14F2N2O2 — CID 142538414

IUPACethane;ethyl 2,2-difluoro-2-pyrimidin-2-ylacetate
SMILESCC.CCOC(=O)C(F)(F)c1ncccn1
InChIInChI=1S/C8H8F2N2O2.C2H6/c1-2-14-7(13)8(9,10)6-11-4-3-5-12-6;1-2/h3-5H,2H2,1H3;1-2H3
InChIKeySYEJNTLNEYWZOA-UHFFFAOYSA-N
MW232.23 g/mol
LogP2.16
Rot. Bonds3

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

ethane;ethyl 2,2-difluoro-2-pyrimidin-2-ylacetate (PubChem CID 142538414) has the molecular formula C10H14F2N2O2 and a molecular weight of 232.23 g/mol. Its IUPAC name is ethane;ethyl 2,2-difluoro-2-pyrimidin-2-ylacetate.

Molecular Properties

Compound Nameethane;ethyl 2,2-difluoro-2-pyrimidin-2-ylacetate
PubChem CID142538414
Molecular FormulaC10H14F2N2O2
Molecular Weight232.23 g/mol
Exact Mass232.10
IUPAC Nameethane;ethyl 2,2-difluoro-2-pyrimidin-2-ylacetate
SMILESCC.CCOC(=O)C(F)(F)c1ncccn1
InChIInChI=1S/C8H8F2N2O2.C2H6/c1-2-14-7(13)8(9,10)6-11-4-3-5-12-6;1-2/h3-5H,2H2,1H3;1-2H3
InChIKeySYEJNTLNEYWZOA-UHFFFAOYSA-N
XLogP2.16
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
Ethyl alpha,alpha-difluoro-2-pyrimidineacetate
CID 10774458

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 2,2-difluoro-2-pyrimidin-2-ylacetate?
The IUPAC name of ethane;ethyl 2,2-difluoro-2-pyrimidin-2-ylacetate (CID 142538414) is ethane;ethyl 2,2-difluoro-2-pyrimidin-2-ylacetate.
What is the SMILES notation for ethane;ethyl 2,2-difluoro-2-pyrimidin-2-ylacetate?
The canonical SMILES for ethane;ethyl 2,2-difluoro-2-pyrimidin-2-ylacetate is CC.CCOC(=O)C(F)(F)c1ncccn1.
What is the InChIKey of ethane;ethyl 2,2-difluoro-2-pyrimidin-2-ylacetate?
The InChIKey is SYEJNTLNEYWZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O2.C2H6/c1-2-14-7(13)8(9,10)6-11-4-3-5-12-6;1-2/h3-5H,2H2,1H3;1-2H3.
What are the key properties of ethane;ethyl 2,2-difluoro-2-pyrimidin-2-ylacetate?
ethane;ethyl 2,2-difluoro-2-pyrimidin-2-ylacetate has a molecular weight of 232.23 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 2,2-difluoro-2-pyrimidin-2-ylacetate is sourced from PubChem (CID 142538414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).