2,2-difluoro-3-(2-oxopyrimidin-1-yl)propanoic acid

C7H6F2N2O3 — CID 165461792

IUPAC2,2-difluoro-3-(2-oxopyrimidin-1-yl)propanoic acid
SMILESO=C(O)C(F)(F)Cn1cccnc1=O
InChIInChI=1S/C7H6F2N2O3/c8-7(9,5(12)13)4-11-3-1-2-10-6(11)14/h1-3H,4H2,(H,12,13)
InChIKeyCIDBXAZWJXWQAD-UHFFFAOYSA-N
MW204.13 g/mol
LogP-0.04
Rot. Bonds3

About 2,2-difluoro-3-(2-oxopyrimidin-1-yl)propanoic acid

2,2-difluoro-3-(2-oxopyrimidin-1-yl)propanoic acid (PubChem CID 165461792) has the molecular formula C7H6F2N2O3 and a molecular weight of 204.13 g/mol. Its IUPAC name is 2,2-difluoro-3-(2-oxopyrimidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2,2-difluoro-3-(2-oxopyrimidin-1-yl)propanoic acid
PubChem CID165461792
Molecular FormulaC7H6F2N2O3
Molecular Weight204.13 g/mol
Exact Mass204.03
IUPAC Name2,2-difluoro-3-(2-oxopyrimidin-1-yl)propanoic acid
SMILESO=C(O)C(F)(F)Cn1cccnc1=O
InChIInChI=1S/C7H6F2N2O3/c8-7(9,5(12)13)4-11-3-1-2-10-6(11)14/h1-3H,4H2,(H,12,13)
InChIKeyCIDBXAZWJXWQAD-UHFFFAOYSA-N
XLogP-0.04
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.13
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(2-oxopyrimidin-1-yl)propanoic acid?
The IUPAC name of 2,2-difluoro-3-(2-oxopyrimidin-1-yl)propanoic acid (CID 165461792) is 2,2-difluoro-3-(2-oxopyrimidin-1-yl)propanoic acid.
What is the SMILES notation for 2,2-difluoro-3-(2-oxopyrimidin-1-yl)propanoic acid?
The canonical SMILES for 2,2-difluoro-3-(2-oxopyrimidin-1-yl)propanoic acid is O=C(O)C(F)(F)Cn1cccnc1=O.
What is the InChIKey of 2,2-difluoro-3-(2-oxopyrimidin-1-yl)propanoic acid?
The InChIKey is CIDBXAZWJXWQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O3/c8-7(9,5(12)13)4-11-3-1-2-10-6(11)14/h1-3H,4H2,(H,12,13).
What are the key properties of 2,2-difluoro-3-(2-oxopyrimidin-1-yl)propanoic acid?
2,2-difluoro-3-(2-oxopyrimidin-1-yl)propanoic acid has a molecular weight of 204.13 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(2-oxopyrimidin-1-yl)propanoic acid is sourced from PubChem (CID 165461792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).