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

C7H2F6N2O2 — CID 24788040

IUPAC5-fluoro-1-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(/C(F)=C(/F)C(F)(F)F)cc1F
InChIInChI=1S/C7H2F6N2O2/c8-2-1-15(6(17)14-5(2)16)4(10)3(9)7(11,12)13/h1H,(H,14,16,17)/b4-3+
InChIKeyWNSKYIXHHIQBCN-ONEGZZNKSA-N
MW260.09 g/mol
LogP1.30
Rot. Bonds1

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

5-fluoro-1-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]pyrimidine-2,4-dione (PubChem CID 24788040) has the molecular formula C7H2F6N2O2 and a molecular weight of 260.09 g/mol. Its IUPAC name is 5-fluoro-1-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]pyrimidine-2,4-dione
PubChem CID24788040
Molecular FormulaC7H2F6N2O2
Molecular Weight260.09 g/mol
Exact Mass260.00
IUPAC Name5-fluoro-1-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(/C(F)=C(/F)C(F)(F)F)cc1F
InChIInChI=1S/C7H2F6N2O2/c8-2-1-15(6(17)14-5(2)16)4(10)3(9)7(11,12)13/h1H,(H,14,16,17)/b4-3+
InChIKeyWNSKYIXHHIQBCN-ONEGZZNKSA-N
XLogP1.30
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 3385
CID 3385
CID 5899
CID 5899
CID 78957
CID 78957
CID 489887
CID 489887
CID 277733
CID 277733
CID 330104
CID 330104
CID 342611
CID 342611
CID 92452
CID 92452
CID 16213520
CID 16213520
CID 126516
CID 126516
CID 12370700
CID 12370700
CID 450213
CID 450213

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]pyrimidine-2,4-dione (CID 24788040) is 5-fluoro-1-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(/C(F)=C(/F)C(F)(F)F)cc1F.
What is the InChIKey of 5-fluoro-1-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]pyrimidine-2,4-dione?
The InChIKey is WNSKYIXHHIQBCN-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H2F6N2O2/c8-2-1-15(6(17)14-5(2)16)4(10)3(9)7(11,12)13/h1H,(H,14,16,17)/b4-3+.
What are the key properties of 5-fluoro-1-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]pyrimidine-2,4-dione?
5-fluoro-1-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]pyrimidine-2,4-dione has a molecular weight of 260.09 g/mol, XLogP of 1.30, 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)-1,2,3,3,3-pentafluoroprop-1-enyl]pyrimidine-2,4-dione is sourced from PubChem (CID 24788040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).