4-methoxy-2-[2-phenyl-6-(1,1,2,2-tetrafluoroethyl)pyrimidin-4-yl]phenol

C19H14F4N2O2 — CID 3297297

IUPAC4-methoxy-2-[2-phenyl-6-(1,1,2,2-tetrafluoroethyl)pyrimidin-4-yl]phenol
SMILESCOc1ccc(O)c(-c2cc(C(F)(F)C(F)F)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C19H14F4N2O2/c1-27-12-7-8-15(26)13(9-12)14-10-16(19(22,23)18(20)21)25-17(24-14)11-5-3-2-4-6-11/h2-10,18,26H,1H3
InChIKeySJKMRRREKUQGFE-UHFFFAOYSA-N
MW378.33 g/mol
LogP4.88
Rot. Bonds5

About 4-methoxy-2-[2-phenyl-6-(1,1,2,2-tetrafluoroethyl)pyrimidin-4-yl]phenol

4-methoxy-2-[2-phenyl-6-(1,1,2,2-tetrafluoroethyl)pyrimidin-4-yl]phenol (PubChem CID 3297297) has the molecular formula C19H14F4N2O2 and a molecular weight of 378.33 g/mol. Its IUPAC name is 4-methoxy-2-[2-phenyl-6-(1,1,2,2-tetrafluoroethyl)pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[2-phenyl-6-(1,1,2,2-tetrafluoroethyl)pyrimidin-4-yl]phenol
PubChem CID3297297
Molecular FormulaC19H14F4N2O2
Molecular Weight378.33 g/mol
Exact Mass378.10
IUPAC Name4-methoxy-2-[2-phenyl-6-(1,1,2,2-tetrafluoroethyl)pyrimidin-4-yl]phenol
SMILESCOc1ccc(O)c(-c2cc(C(F)(F)C(F)F)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C19H14F4N2O2/c1-27-12-7-8-15(26)13(9-12)14-10-16(19(22,23)18(20)21)25-17(24-14)11-5-3-2-4-6-11/h2-10,18,26H,1H3
InChIKeySJKMRRREKUQGFE-UHFFFAOYSA-N
XLogP4.88
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.33
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methoxy-2-[2-phenyl-6-(1,1,2,2-tetrafluoroethyl)pyrimidin-4-yl]phenol?
The IUPAC name of 4-methoxy-2-[2-phenyl-6-(1,1,2,2-tetrafluoroethyl)pyrimidin-4-yl]phenol (CID 3297297) is 4-methoxy-2-[2-phenyl-6-(1,1,2,2-tetrafluoroethyl)pyrimidin-4-yl]phenol.
What is the SMILES notation for 4-methoxy-2-[2-phenyl-6-(1,1,2,2-tetrafluoroethyl)pyrimidin-4-yl]phenol?
The canonical SMILES for 4-methoxy-2-[2-phenyl-6-(1,1,2,2-tetrafluoroethyl)pyrimidin-4-yl]phenol is COc1ccc(O)c(-c2cc(C(F)(F)C(F)F)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 4-methoxy-2-[2-phenyl-6-(1,1,2,2-tetrafluoroethyl)pyrimidin-4-yl]phenol?
The InChIKey is SJKMRRREKUQGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N2O2/c1-27-12-7-8-15(26)13(9-12)14-10-16(19(22,23)18(20)21)25-17(24-14)11-5-3-2-4-6-11/h2-10,18,26H,1H3.
What are the key properties of 4-methoxy-2-[2-phenyl-6-(1,1,2,2-tetrafluoroethyl)pyrimidin-4-yl]phenol?
4-methoxy-2-[2-phenyl-6-(1,1,2,2-tetrafluoroethyl)pyrimidin-4-yl]phenol has a molecular weight of 378.33 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[2-phenyl-6-(1,1,2,2-tetrafluoroethyl)pyrimidin-4-yl]phenol is sourced from PubChem (CID 3297297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).