4-(2,3,5,6-tetrafluorophenoxy)pyrimidine

C10H4F4N2O — CID 131735128

IUPAC4-(2,3,5,6-tetrafluorophenoxy)pyrimidine
SMILESFc1cc(F)c(F)c(Oc2ccncn2)c1F
InChIInChI=1S/C10H4F4N2O/c11-5-3-6(12)9(14)10(8(5)13)17-7-1-2-15-4-16-7/h1-4H
InChIKeyXMPZICVIXAFICH-UHFFFAOYSA-N
MW244.15 g/mol
LogP2.83
Rot. Bonds2

About 4-(2,3,5,6-tetrafluorophenoxy)pyrimidine

4-(2,3,5,6-tetrafluorophenoxy)pyrimidine (PubChem CID 131735128) has the molecular formula C10H4F4N2O and a molecular weight of 244.15 g/mol. Its IUPAC name is 4-(2,3,5,6-tetrafluorophenoxy)pyrimidine.

Molecular Properties

Compound Name4-(2,3,5,6-tetrafluorophenoxy)pyrimidine
PubChem CID131735128
Molecular FormulaC10H4F4N2O
Molecular Weight244.15 g/mol
Exact Mass244.03
IUPAC Name4-(2,3,5,6-tetrafluorophenoxy)pyrimidine
SMILESFc1cc(F)c(F)c(Oc2ccncn2)c1F
InChIInChI=1S/C10H4F4N2O/c11-5-3-6(12)9(14)10(8(5)13)17-7-1-2-15-4-16-7/h1-4H
InChIKeyXMPZICVIXAFICH-UHFFFAOYSA-N
XLogP2.83
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.15
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3,5,6-tetrafluorophenoxy)pyrimidine?
The IUPAC name of 4-(2,3,5,6-tetrafluorophenoxy)pyrimidine (CID 131735128) is 4-(2,3,5,6-tetrafluorophenoxy)pyrimidine.
What is the SMILES notation for 4-(2,3,5,6-tetrafluorophenoxy)pyrimidine?
The canonical SMILES for 4-(2,3,5,6-tetrafluorophenoxy)pyrimidine is Fc1cc(F)c(F)c(Oc2ccncn2)c1F.
What is the InChIKey of 4-(2,3,5,6-tetrafluorophenoxy)pyrimidine?
The InChIKey is XMPZICVIXAFICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F4N2O/c11-5-3-6(12)9(14)10(8(5)13)17-7-1-2-15-4-16-7/h1-4H.
What are the key properties of 4-(2,3,5,6-tetrafluorophenoxy)pyrimidine?
4-(2,3,5,6-tetrafluorophenoxy)pyrimidine has a molecular weight of 244.15 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,5,6-tetrafluorophenoxy)pyrimidine is sourced from PubChem (CID 131735128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).