6-(1,1,2,3,3-pentafluoroprop-2-enyl)-1H-pyrimidine-2,4-dione

C7H3F5N2O2 — CID 70127972

IUPAC6-(1,1,2,3,3-pentafluoroprop-2-enyl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(C(F)(F)C(F)=C(F)F)[nH]c(=O)[nH]1
InChIInChI=1S/C7H3F5N2O2/c8-4(5(9)10)7(11,12)2-1-3(15)14-6(16)13-2/h1H,(H2,13,14,15,16)
InChIKeyWVCRXBIQDQNSTF-UHFFFAOYSA-N
MW242.10 g/mol
LogP1.23
Rot. Bonds2

About 6-(1,1,2,3,3-pentafluoroprop-2-enyl)-1H-pyrimidine-2,4-dione

6-(1,1,2,3,3-pentafluoroprop-2-enyl)-1H-pyrimidine-2,4-dione (PubChem CID 70127972) has the molecular formula C7H3F5N2O2 and a molecular weight of 242.10 g/mol. Its IUPAC name is 6-(1,1,2,3,3-pentafluoroprop-2-enyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(1,1,2,3,3-pentafluoroprop-2-enyl)-1H-pyrimidine-2,4-dione
PubChem CID70127972
Molecular FormulaC7H3F5N2O2
Molecular Weight242.10 g/mol
Exact Mass242.01
IUPAC Name6-(1,1,2,3,3-pentafluoroprop-2-enyl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(C(F)(F)C(F)=C(F)F)[nH]c(=O)[nH]1
InChIInChI=1S/C7H3F5N2O2/c8-4(5(9)10)7(11,12)2-1-3(15)14-6(16)13-2/h1H,(H2,13,14,15,16)
InChIKeyWVCRXBIQDQNSTF-UHFFFAOYSA-N
XLogP1.23
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.10
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(1,1,2,3,3-pentafluoroprop-2-enyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(1,1,2,3,3-pentafluoroprop-2-enyl)-1H-pyrimidine-2,4-dione (CID 70127972) is 6-(1,1,2,3,3-pentafluoroprop-2-enyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(1,1,2,3,3-pentafluoroprop-2-enyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(1,1,2,3,3-pentafluoroprop-2-enyl)-1H-pyrimidine-2,4-dione is O=c1cc(C(F)(F)C(F)=C(F)F)[nH]c(=O)[nH]1.
What is the InChIKey of 6-(1,1,2,3,3-pentafluoroprop-2-enyl)-1H-pyrimidine-2,4-dione?
The InChIKey is WVCRXBIQDQNSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F5N2O2/c8-4(5(9)10)7(11,12)2-1-3(15)14-6(16)13-2/h1H,(H2,13,14,15,16).
What are the key properties of 6-(1,1,2,3,3-pentafluoroprop-2-enyl)-1H-pyrimidine-2,4-dione?
6-(1,1,2,3,3-pentafluoroprop-2-enyl)-1H-pyrimidine-2,4-dione has a molecular weight of 242.10 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1,2,3,3-pentafluoroprop-2-enyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 70127972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).