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

C19H14F4N2O — CID 1069571

IUPAC4-methyl-2-[2-phenyl-6-(1,1,2,2-tetrafluoroethyl)pyrimidin-4-yl]phenol
SMILESCc1ccc(O)c(-c2cc(C(F)(F)C(F)F)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C19H14F4N2O/c1-11-7-8-15(26)13(9-11)14-10-16(19(22,23)18(20)21)25-17(24-14)12-5-3-2-4-6-12/h2-10,18,26H,1H3
InChIKeyJLUXSGBUZHLOLL-UHFFFAOYSA-N
MW362.33 g/mol
LogP5.18
Rot. Bonds4

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

4-methyl-2-[2-phenyl-6-(1,1,2,2-tetrafluoroethyl)pyrimidin-4-yl]phenol (PubChem CID 1069571) has the molecular formula C19H14F4N2O and a molecular weight of 362.33 g/mol. Its IUPAC name is 4-methyl-2-[2-phenyl-6-(1,1,2,2-tetrafluoroethyl)pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name4-methyl-2-[2-phenyl-6-(1,1,2,2-tetrafluoroethyl)pyrimidin-4-yl]phenol
PubChem CID1069571
Molecular FormulaC19H14F4N2O
Molecular Weight362.33 g/mol
Exact Mass362.10
IUPAC Name4-methyl-2-[2-phenyl-6-(1,1,2,2-tetrafluoroethyl)pyrimidin-4-yl]phenol
SMILESCc1ccc(O)c(-c2cc(C(F)(F)C(F)F)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C19H14F4N2O/c1-11-7-8-15(26)13(9-11)14-10-16(19(22,23)18(20)21)25-17(24-14)12-5-3-2-4-6-12/h2-10,18,26H,1H3
InChIKeyJLUXSGBUZHLOLL-UHFFFAOYSA-N
XLogP5.18
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.33
LogP ≤ 55.18
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 4-methyl-2-[2-phenyl-6-(1,1,2,2-tetrafluoroethyl)pyrimidin-4-yl]phenol?
The IUPAC name of 4-methyl-2-[2-phenyl-6-(1,1,2,2-tetrafluoroethyl)pyrimidin-4-yl]phenol (CID 1069571) is 4-methyl-2-[2-phenyl-6-(1,1,2,2-tetrafluoroethyl)pyrimidin-4-yl]phenol.
What is the SMILES notation for 4-methyl-2-[2-phenyl-6-(1,1,2,2-tetrafluoroethyl)pyrimidin-4-yl]phenol?
The canonical SMILES for 4-methyl-2-[2-phenyl-6-(1,1,2,2-tetrafluoroethyl)pyrimidin-4-yl]phenol is Cc1ccc(O)c(-c2cc(C(F)(F)C(F)F)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 4-methyl-2-[2-phenyl-6-(1,1,2,2-tetrafluoroethyl)pyrimidin-4-yl]phenol?
The InChIKey is JLUXSGBUZHLOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N2O/c1-11-7-8-15(26)13(9-11)14-10-16(19(22,23)18(20)21)25-17(24-14)12-5-3-2-4-6-12/h2-10,18,26H,1H3.
What are the key properties of 4-methyl-2-[2-phenyl-6-(1,1,2,2-tetrafluoroethyl)pyrimidin-4-yl]phenol?
4-methyl-2-[2-phenyl-6-(1,1,2,2-tetrafluoroethyl)pyrimidin-4-yl]phenol has a molecular weight of 362.33 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-phenyl-6-(1,1,2,2-tetrafluoroethyl)pyrimidin-4-yl]phenol is sourced from PubChem (CID 1069571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).