2-fluoro-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid

C6H4F2N2O4 — CID 81297160

IUPAC2-fluoro-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid
SMILESO=C(O)C(F)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C6H4F2N2O4/c7-2-1-10(3(8)5(12)13)6(14)9-4(2)11/h1,3H,(H,12,13)(H,9,11,14)
InChIKeySQDDOIILQMCBGG-UHFFFAOYSA-N
MW206.10 g/mol
LogP-0.77
Rot. Bonds2

About 2-fluoro-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid

2-fluoro-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid (PubChem CID 81297160) has the molecular formula C6H4F2N2O4 and a molecular weight of 206.10 g/mol. Its IUPAC name is 2-fluoro-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid
PubChem CID81297160
Molecular FormulaC6H4F2N2O4
Molecular Weight206.10 g/mol
Exact Mass206.01
IUPAC Name2-fluoro-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid
SMILESO=C(O)C(F)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C6H4F2N2O4/c7-2-1-10(3(8)5(12)13)6(14)9-4(2)11/h1,3H,(H,12,13)(H,9,11,14)
InChIKeySQDDOIILQMCBGG-UHFFFAOYSA-N
XLogP-0.77
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.10
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid
CID 255733
(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid
CID 1212068
2-(5-Fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid
CID 1378560
2-(2,6-Dioxo-1,2,3,6-tetrahydropyrimidin-1-yl)acetic acid
CID 2512745
1(2H)-pyrimidineacetic acid, 5-fluoro-3,4-dihydro-2,4-dioxo-, methyl ester
CID 637881
(5-Iodo-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-acetic acid
CID 1361763
2-(5-Chloro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid
CID 66423960
5-Fluorouracilcarboxylic acid
CID 129729501
Fluorouracil-1-acetic acid
CID 141092594
5-Fluorouracil-acetic acid
CID 12844136
2(R)-(5-fluorouracil-1-yl)acetylglycin
CID 13876023
3-Methoxycarbonylmethyl-5-fluorouracil
CID 13061640

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid?
The IUPAC name of 2-fluoro-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid (CID 81297160) is 2-fluoro-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid?
The canonical SMILES for 2-fluoro-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid is O=C(O)C(F)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 2-fluoro-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid?
The InChIKey is SQDDOIILQMCBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2N2O4/c7-2-1-10(3(8)5(12)13)6(14)9-4(2)11/h1,3H,(H,12,13)(H,9,11,14).
What are the key properties of 2-fluoro-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid?
2-fluoro-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid has a molecular weight of 206.10 g/mol, XLogP of -0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid is sourced from PubChem (CID 81297160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).