5-fluoro-2,4-dioxopyrimidine-1-carboxamide;2,2,2-trifluoroacetic acid

C7H5F4N3O5 — CID 175982806

IUPAC5-fluoro-2,4-dioxopyrimidine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)n1cc(F)c(=O)[nH]c1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C5H4FN3O3.C2HF3O2/c6-2-1-9(4(7)11)5(12)8-3(2)10;3-2(4,5)1(6)7/h1H,(H2,7,11)(H,8,10,12);(H,6,7)
InChIKeyMRVXBVDPMQPGQD-UHFFFAOYSA-N
MW287.13 g/mol
LogP-0.76
Rot. Bonds

About 5-fluoro-2,4-dioxopyrimidine-1-carboxamide;2,2,2-trifluoroacetic acid

5-fluoro-2,4-dioxopyrimidine-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 175982806) has the molecular formula C7H5F4N3O5 and a molecular weight of 287.13 g/mol. Its IUPAC name is 5-fluoro-2,4-dioxopyrimidine-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-fluoro-2,4-dioxopyrimidine-1-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID175982806
Molecular FormulaC7H5F4N3O5
Molecular Weight287.13 g/mol
Exact Mass287.02
IUPAC Name5-fluoro-2,4-dioxopyrimidine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)n1cc(F)c(=O)[nH]c1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C5H4FN3O3.C2HF3O2/c6-2-1-9(4(7)11)5(12)8-3(2)10;3-2(4,5)1(6)7/h1H,(H2,7,11)(H,8,10,12);(H,6,7)
InChIKeyMRVXBVDPMQPGQD-UHFFFAOYSA-N
XLogP-0.76
TPSA135.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.13
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,4-dioxopyrimidine-1-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-fluoro-2,4-dioxopyrimidine-1-carboxamide;2,2,2-trifluoroacetic acid (CID 175982806) is 5-fluoro-2,4-dioxopyrimidine-1-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-fluoro-2,4-dioxopyrimidine-1-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-fluoro-2,4-dioxopyrimidine-1-carboxamide;2,2,2-trifluoroacetic acid is NC(=O)n1cc(F)c(=O)[nH]c1=O.O=C(O)C(F)(F)F.
What is the InChIKey of 5-fluoro-2,4-dioxopyrimidine-1-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is MRVXBVDPMQPGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4FN3O3.C2HF3O2/c6-2-1-9(4(7)11)5(12)8-3(2)10;3-2(4,5)1(6)7/h1H,(H2,7,11)(H,8,10,12);(H,6,7).
What are the key properties of 5-fluoro-2,4-dioxopyrimidine-1-carboxamide;2,2,2-trifluoroacetic acid?
5-fluoro-2,4-dioxopyrimidine-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 287.13 g/mol, XLogP of -0.76, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,4-dioxopyrimidine-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175982806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).