4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one

C7H6F4N2O2 — CID 103240406

IUPAC4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
SMILESO=c1cc(OCC(F)(F)C(F)F)nc[nH]1
InChIInChI=1S/C7H6F4N2O2/c8-6(9)7(10,11)2-15-5-1-4(14)12-3-13-5/h1,3,6H,2H2,(H,12,13,14)
InChIKeyHFADDDKSHRTIJA-UHFFFAOYSA-N
MW226.13 g/mol
LogP1.05
Rot. Bonds4

About 4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one

4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one (PubChem CID 103240406) has the molecular formula C7H6F4N2O2 and a molecular weight of 226.13 g/mol. Its IUPAC name is 4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
PubChem CID103240406
Molecular FormulaC7H6F4N2O2
Molecular Weight226.13 g/mol
Exact Mass226.04
IUPAC Name4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
SMILESO=c1cc(OCC(F)(F)C(F)F)nc[nH]1
InChIInChI=1S/C7H6F4N2O2/c8-6(9)7(10,11)2-15-5-1-4(14)12-3-13-5/h1,3,6H,2H2,(H,12,13,14)
InChIKeyHFADDDKSHRTIJA-UHFFFAOYSA-N
XLogP1.05
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.13
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one (CID 103240406) is 4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one is O=c1cc(OCC(F)(F)C(F)F)nc[nH]1.
What is the InChIKey of 4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one?
The InChIKey is HFADDDKSHRTIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F4N2O2/c8-6(9)7(10,11)2-15-5-1-4(14)12-3-13-5/h1,3,6H,2H2,(H,12,13,14).
What are the key properties of 4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one?
4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one has a molecular weight of 226.13 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103240406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).