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

C7H5F5N2O2 — CID 103241792

IUPAC4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one
SMILESO=c1cc(OCC(F)(F)C(F)(F)F)nc[nH]1
InChIInChI=1S/C7H5F5N2O2/c8-6(9,7(10,11)12)2-16-5-1-4(15)13-3-14-5/h1,3H,2H2,(H,13,14,15)
InChIKeyUSAWQCBAUMXNOU-UHFFFAOYSA-N
MW244.12 g/mol
LogP1.35
Rot. Bonds3

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

4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one (PubChem CID 103241792) has the molecular formula C7H5F5N2O2 and a molecular weight of 244.12 g/mol. Its IUPAC name is 4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one
PubChem CID103241792
Molecular FormulaC7H5F5N2O2
Molecular Weight244.12 g/mol
Exact Mass244.03
IUPAC Name4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one
SMILESO=c1cc(OCC(F)(F)C(F)(F)F)nc[nH]1
InChIInChI=1S/C7H5F5N2O2/c8-6(9,7(10,11)12)2-16-5-1-4(15)13-3-14-5/h1,3H,2H2,(H,13,14,15)
InChIKeyUSAWQCBAUMXNOU-UHFFFAOYSA-N
XLogP1.35
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.12
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-Methoxy-4-1H-pyrimidinone
CID 3770663
4-(difluoromethoxy)-1H-pyrimidin-6-one
CID 19988572
4-(trifluoromethoxy)-1H-pyrimidin-6-one
CID 90982445
4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
CID 103240406
4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 103240553
4-(2,2,3,3,4,4,4-heptafluorobutoxy)-1H-pyrimidin-6-one
CID 146231679
4-(2,2,3,4,4,4-hexafluorobutoxy)-1H-pyrimidin-6-one
CID 146231682
4-(2,2,3,3-tetrafluorobutoxy)-1H-pyrimidin-6-one
CID 157794543
4-(2,2,3-trifluorobutoxy)-1H-pyrimidin-6-one
CID 159056896
5-amino-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
CID 103240400
5-amino-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one
CID 103241782
5-bromo-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one
CID 103241784

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one (CID 103241792) is 4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one is O=c1cc(OCC(F)(F)C(F)(F)F)nc[nH]1.
What is the InChIKey of 4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one?
The InChIKey is USAWQCBAUMXNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F5N2O2/c8-6(9,7(10,11)12)2-16-5-1-4(15)13-3-14-5/h1,3H,2H2,(H,13,14,15).
What are the key properties of 4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one?
4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one has a molecular weight of 244.12 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103241792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).