2-[4-(2-ethoxy-1,1,2,2-tetrafluoroethoxy)phenyl]pyrimidin-5-ol

C14H12F4N2O3 — CID 19001143

IUPAC2-[4-(2-ethoxy-1,1,2,2-tetrafluoroethoxy)phenyl]pyrimidin-5-ol
SMILESCCOC(F)(F)C(F)(F)Oc1ccc(-c2ncc(O)cn2)cc1
InChIInChI=1S/C14H12F4N2O3/c1-2-22-13(15,16)14(17,18)23-11-5-3-9(4-6-11)12-19-7-10(21)8-20-12/h3-8,21H,2H2,1H3
InChIKeyLNYKJOQNKZKVGW-UHFFFAOYSA-N
MW332.25 g/mol
LogP3.45
Rot. Bonds6

About 2-[4-(2-ethoxy-1,1,2,2-tetrafluoroethoxy)phenyl]pyrimidin-5-ol

2-[4-(2-ethoxy-1,1,2,2-tetrafluoroethoxy)phenyl]pyrimidin-5-ol (PubChem CID 19001143) has the molecular formula C14H12F4N2O3 and a molecular weight of 332.25 g/mol. Its IUPAC name is 2-[4-(2-ethoxy-1,1,2,2-tetrafluoroethoxy)phenyl]pyrimidin-5-ol.

Molecular Properties

Compound Name2-[4-(2-ethoxy-1,1,2,2-tetrafluoroethoxy)phenyl]pyrimidin-5-ol
PubChem CID19001143
Molecular FormulaC14H12F4N2O3
Molecular Weight332.25 g/mol
Exact Mass332.08
IUPAC Name2-[4-(2-ethoxy-1,1,2,2-tetrafluoroethoxy)phenyl]pyrimidin-5-ol
SMILESCCOC(F)(F)C(F)(F)Oc1ccc(-c2ncc(O)cn2)cc1
InChIInChI=1S/C14H12F4N2O3/c1-2-22-13(15,16)14(17,18)23-11-5-3-9(4-6-11)12-19-7-10(21)8-20-12/h3-8,21H,2H2,1H3
InChIKeyLNYKJOQNKZKVGW-UHFFFAOYSA-N
XLogP3.45
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.25
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[4-(2-ethoxy-1,1,2,2-tetrafluoroethoxy)phenyl]pyrimidin-5-ol?
The IUPAC name of 2-[4-(2-ethoxy-1,1,2,2-tetrafluoroethoxy)phenyl]pyrimidin-5-ol (CID 19001143) is 2-[4-(2-ethoxy-1,1,2,2-tetrafluoroethoxy)phenyl]pyrimidin-5-ol.
What is the SMILES notation for 2-[4-(2-ethoxy-1,1,2,2-tetrafluoroethoxy)phenyl]pyrimidin-5-ol?
The canonical SMILES for 2-[4-(2-ethoxy-1,1,2,2-tetrafluoroethoxy)phenyl]pyrimidin-5-ol is CCOC(F)(F)C(F)(F)Oc1ccc(-c2ncc(O)cn2)cc1.
What is the InChIKey of 2-[4-(2-ethoxy-1,1,2,2-tetrafluoroethoxy)phenyl]pyrimidin-5-ol?
The InChIKey is LNYKJOQNKZKVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N2O3/c1-2-22-13(15,16)14(17,18)23-11-5-3-9(4-6-11)12-19-7-10(21)8-20-12/h3-8,21H,2H2,1H3.
What are the key properties of 2-[4-(2-ethoxy-1,1,2,2-tetrafluoroethoxy)phenyl]pyrimidin-5-ol?
2-[4-(2-ethoxy-1,1,2,2-tetrafluoroethoxy)phenyl]pyrimidin-5-ol has a molecular weight of 332.25 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethoxy-1,1,2,2-tetrafluoroethoxy)phenyl]pyrimidin-5-ol is sourced from PubChem (CID 19001143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).