5-(2,2-difluoroethyl)-1H-pyrimidine-2,4-dione

C6H6F2N2O2 — CID 151623303

IUPAC5-(2,2-difluoroethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(CC(F)F)c(=O)[nH]1
InChIInChI=1S/C6H6F2N2O2/c7-4(8)1-3-2-9-6(12)10-5(3)11/h2,4H,1H2,(H2,9,10,11,12)
InChIKeyQOYSPAZGUIWMHR-UHFFFAOYSA-N
MW176.12 g/mol
LogP-0.13
Rot. Bonds2

About 5-(2,2-difluoroethyl)-1H-pyrimidine-2,4-dione

5-(2,2-difluoroethyl)-1H-pyrimidine-2,4-dione (PubChem CID 151623303) has the molecular formula C6H6F2N2O2 and a molecular weight of 176.12 g/mol. Its IUPAC name is 5-(2,2-difluoroethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2,2-difluoroethyl)-1H-pyrimidine-2,4-dione
PubChem CID151623303
Molecular FormulaC6H6F2N2O2
Molecular Weight176.12 g/mol
Exact Mass176.04
IUPAC Name5-(2,2-difluoroethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(CC(F)F)c(=O)[nH]1
InChIInChI=1S/C6H6F2N2O2/c7-4(8)1-3-2-9-6(12)10-5(3)11/h2,4H,1H2,(H2,9,10,11,12)
InChIKeyQOYSPAZGUIWMHR-UHFFFAOYSA-N
XLogP-0.13
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.12
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Trifluoromethyluracil
CID 5899
5-Vinyluracil
CID 99305
5-Ethyl-2,4(1H,3H)-pyrimidinedione
CID 73267
5-Isopropyluracil
CID 98575
5-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)pyrimidine-2,4(1H,3H)-dione
CID 373128
5-Heptafluoropropyluracil
CID 595149
5-prop-2-enyl-1H-pyrimidine-2,4-dione
CID 255537
5-(2,2-Difluorovinyl)uracil
CID 13833729
5-(2-Fluoroethyl)-1-(methoxymethyl)pyrimidine-2,4-dione
CID 57399553
1-Methyl-5-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione
CID 13004982
5-Fluoromethyluracil
CID 22172492
5-(1,1-Difluoroethyl)-1,3-dimethylpyrimidine-2,4-dione
CID 118332950

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(2,2-difluoroethyl)-1H-pyrimidine-2,4-dione (CID 151623303) is 5-(2,2-difluoroethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(2,2-difluoroethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(2,2-difluoroethyl)-1H-pyrimidine-2,4-dione is O=c1[nH]cc(CC(F)F)c(=O)[nH]1.
What is the InChIKey of 5-(2,2-difluoroethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is QOYSPAZGUIWMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2O2/c7-4(8)1-3-2-9-6(12)10-5(3)11/h2,4H,1H2,(H2,9,10,11,12).
What are the key properties of 5-(2,2-difluoroethyl)-1H-pyrimidine-2,4-dione?
5-(2,2-difluoroethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 176.12 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 151623303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).