5-fluoro-1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]pyrimidine-2,4-dione

C7H3F5N2O2 — CID 24786257

IUPAC5-fluoro-1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(/C(F)=C/C(F)(F)F)cc1F
InChIInChI=1S/C7H3F5N2O2/c8-3-2-14(6(16)13-5(3)15)4(9)1-7(10,11)12/h1-2H,(H,13,15,16)/b4-1+
InChIKeyRVRIJRKFCAXBKN-DAFODLJHSA-N
MW242.10 g/mol
LogP1.01
Rot. Bonds1

About 5-fluoro-1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]pyrimidine-2,4-dione

5-fluoro-1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]pyrimidine-2,4-dione (PubChem CID 24786257) has the molecular formula C7H3F5N2O2 and a molecular weight of 242.10 g/mol. Its IUPAC name is 5-fluoro-1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]pyrimidine-2,4-dione
PubChem CID24786257
Molecular FormulaC7H3F5N2O2
Molecular Weight242.10 g/mol
Exact Mass242.01
IUPAC Name5-fluoro-1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(/C(F)=C/C(F)(F)F)cc1F
InChIInChI=1S/C7H3F5N2O2/c8-3-2-14(6(16)13-5(3)15)4(9)1-7(10,11)12/h1-2H,(H,13,15,16)/b4-1+
InChIKeyRVRIJRKFCAXBKN-DAFODLJHSA-N
XLogP1.01
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.10
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2,4-dioxopyrimidine-1-carbonyl chloride
CID 14451336
ethane;5-fluoro-N-methyl-2,4-dioxopyrimidine-1-carboxamide
CID 145209845
5-fluoro-1-methoxypyrimidine-2,4-dione
CID 164899020
1-(3-amino-3-hydroxypropanoyl)-5-fluoropyrimidine-2,4-dione
CID 58503450
1-(5-bromopentanoyl)-5-fluoropyrimidine-2,4-dione
CID 125478680
1-[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]-5-fluoropyrimidine-2,4-dione
CID 10132345
N-(1-adamantyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
CID 20525056
1-(1,3-dihydroxypropan-2-yl)-5-fluoropyrimidine-2,4-dione
CID 10726860
5-fluoro-N-(4-methylpentyl)-2,4-dioxopyrimidine-1-carboxamide
CID 68650560
1-[2-[2-[(2,6-dichlorophenyl)methyl]phenyl]acetyl]-5-fluoropyrimidine-2,4-dione
CID 58058410
1-[2-[3-(2,5-dioxopyrrol-1-yl)phenyl]acetyl]-5-fluoropyrimidine-2,4-dione
CID 10807295
(2S,3S,4S,5R)-6-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 18392072

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]pyrimidine-2,4-dione (CID 24786257) is 5-fluoro-1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(/C(F)=C/C(F)(F)F)cc1F.
What is the InChIKey of 5-fluoro-1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]pyrimidine-2,4-dione?
The InChIKey is RVRIJRKFCAXBKN-DAFODLJHSA-N. The full InChI is InChI=1S/C7H3F5N2O2/c8-3-2-14(6(16)13-5(3)15)4(9)1-7(10,11)12/h1-2H,(H,13,15,16)/b4-1+.
What are the key properties of 5-fluoro-1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]pyrimidine-2,4-dione?
5-fluoro-1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]pyrimidine-2,4-dione has a molecular weight of 242.10 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]pyrimidine-2,4-dione is sourced from PubChem (CID 24786257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).