2-(1,1,2,2,2-pentafluoroethyl)-1H-pyrimidin-6-one

C6H3F5N2O — CID 88610110

IUPAC2-(1,1,2,2,2-pentafluoroethyl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(C(F)(F)C(F)(F)F)[nH]1
InChIInChI=1S/C6H3F5N2O/c7-5(8,6(9,10)11)4-12-2-1-3(14)13-4/h1-2H,(H,12,13,14)
InChIKeyDDXACLJZTYZYNU-UHFFFAOYSA-N
MW214.09 g/mol
LogP1.42
Rot. Bonds1

About 2-(1,1,2,2,2-pentafluoroethyl)-1H-pyrimidin-6-one

2-(1,1,2,2,2-pentafluoroethyl)-1H-pyrimidin-6-one (PubChem CID 88610110) has the molecular formula C6H3F5N2O and a molecular weight of 214.09 g/mol. Its IUPAC name is 2-(1,1,2,2,2-pentafluoroethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1,1,2,2,2-pentafluoroethyl)-1H-pyrimidin-6-one
PubChem CID88610110
Molecular FormulaC6H3F5N2O
Molecular Weight214.09 g/mol
Exact Mass214.02
IUPAC Name2-(1,1,2,2,2-pentafluoroethyl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(C(F)(F)C(F)(F)F)[nH]1
InChIInChI=1S/C6H3F5N2O/c7-5(8,6(9,10)11)4-12-2-1-3(14)13-4/h1-2H,(H,12,13,14)
InChIKeyDDXACLJZTYZYNU-UHFFFAOYSA-N
XLogP1.42
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.09
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2-(1,1,2,2,2-pentafluoroethyl)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Trifluoromethyl-pyrimidin-4-ol
CID 243570
2-Fluoromethylpyrimidin-4(3h)-one
CID 19748096
4(3H)-Pyrimidinone, 2-(1,1-difluoroethyl)-
CID 22180793
2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrimidin-6-one
CID 33698049
2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 61392911
2-(1,1,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 69089026
2-(1,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 69089027
2-(Difluoromethyl)pyrimidin-4-OL
CID 131028808
2-(3-fluoropropyl)-1H-pyrimidin-6-one
CID 141458657
2-(1-fluorocyclopropyl)-1H-pyrimidin-6-one
CID 156818806
2-(trifluoromethyl)-1H-pyrimidin-6-one;hydroiodide
CID 162568119
2-(2,2-difluorocyclopropyl)-1H-pyrimidin-6-one
CID 163300929

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,2-pentafluoroethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(1,1,2,2,2-pentafluoroethyl)-1H-pyrimidin-6-one (CID 88610110) is 2-(1,1,2,2,2-pentafluoroethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1,1,2,2,2-pentafluoroethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1,1,2,2,2-pentafluoroethyl)-1H-pyrimidin-6-one is O=c1ccnc(C(F)(F)C(F)(F)F)[nH]1.
What is the InChIKey of 2-(1,1,2,2,2-pentafluoroethyl)-1H-pyrimidin-6-one?
The InChIKey is DDXACLJZTYZYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F5N2O/c7-5(8,6(9,10)11)4-12-2-1-3(14)13-4/h1-2H,(H,12,13,14).
What are the key properties of 2-(1,1,2,2,2-pentafluoroethyl)-1H-pyrimidin-6-one?
2-(1,1,2,2,2-pentafluoroethyl)-1H-pyrimidin-6-one has a molecular weight of 214.09 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,2-pentafluoroethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 88610110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).