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

C10H9F5N2O2 — CID 103241786

IUPAC2-cyclopropyl-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one
SMILESO=c1cc(OCC(F)(F)C(F)(F)F)nc(C2CC2)[nH]1
InChIInChI=1S/C10H9F5N2O2/c11-9(12,10(13,14)15)4-19-7-3-6(18)16-8(17-7)5-1-2-5/h3,5H,1-2,4H2,(H,16,17,18)
InChIKeyDIIGZMYOODJASP-UHFFFAOYSA-N
MW284.18 g/mol
LogP2.22
Rot. Bonds4

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

2-cyclopropyl-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one (PubChem CID 103241786) has the molecular formula C10H9F5N2O2 and a molecular weight of 284.18 g/mol. Its IUPAC name is 2-cyclopropyl-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one
PubChem CID103241786
Molecular FormulaC10H9F5N2O2
Molecular Weight284.18 g/mol
Exact Mass284.06
IUPAC Name2-cyclopropyl-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one
SMILESO=c1cc(OCC(F)(F)C(F)(F)F)nc(C2CC2)[nH]1
InChIInChI=1S/C10H9F5N2O2/c11-9(12,10(13,14)15)4-19-7-3-6(18)16-8(17-7)5-1-2-5/h3,5H,1-2,4H2,(H,16,17,18)
InChIKeyDIIGZMYOODJASP-UHFFFAOYSA-N
XLogP2.22
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.18
LogP ≤ 52.22
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 2-cyclopropyl-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one (CID 103241786) is 2-cyclopropyl-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one is O=c1cc(OCC(F)(F)C(F)(F)F)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one?
The InChIKey is DIIGZMYOODJASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F5N2O2/c11-9(12,10(13,14)15)4-19-7-3-6(18)16-8(17-7)5-1-2-5/h3,5H,1-2,4H2,(H,16,17,18).
What are the key properties of 2-cyclopropyl-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one has a molecular weight of 284.18 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103241786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).