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

C18H12F4N2O — CID 659190

IUPAC2-[2-phenyl-6-(1,1,2,2-tetrafluoroethyl)pyrimidin-4-yl]phenol
SMILESOc1ccccc1-c1cc(C(F)(F)C(F)F)nc(-c2ccccc2)n1
InChIInChI=1S/C18H12F4N2O/c19-17(20)18(21,22)15-10-13(12-8-4-5-9-14(12)25)23-16(24-15)11-6-2-1-3-7-11/h1-10,17,25H
InChIKeyQRDUPZWKIMRACK-UHFFFAOYSA-N
MW348.30 g/mol
LogP4.87
Rot. Bonds4

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

2-[2-phenyl-6-(1,1,2,2-tetrafluoroethyl)pyrimidin-4-yl]phenol (PubChem CID 659190) has the molecular formula C18H12F4N2O and a molecular weight of 348.30 g/mol. Its IUPAC name is 2-[2-phenyl-6-(1,1,2,2-tetrafluoroethyl)pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name2-[2-phenyl-6-(1,1,2,2-tetrafluoroethyl)pyrimidin-4-yl]phenol
PubChem CID659190
Molecular FormulaC18H12F4N2O
Molecular Weight348.30 g/mol
Exact Mass348.09
IUPAC Name2-[2-phenyl-6-(1,1,2,2-tetrafluoroethyl)pyrimidin-4-yl]phenol
SMILESOc1ccccc1-c1cc(C(F)(F)C(F)F)nc(-c2ccccc2)n1
InChIInChI=1S/C18H12F4N2O/c19-17(20)18(21,22)15-10-13(12-8-4-5-9-14(12)25)23-16(24-15)11-6-2-1-3-7-11/h1-10,17,25H
InChIKeyQRDUPZWKIMRACK-UHFFFAOYSA-N
XLogP4.87
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.30
LogP ≤ 54.87
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 2-[2-phenyl-6-(1,1,2,2-tetrafluoroethyl)pyrimidin-4-yl]phenol?
The IUPAC name of 2-[2-phenyl-6-(1,1,2,2-tetrafluoroethyl)pyrimidin-4-yl]phenol (CID 659190) is 2-[2-phenyl-6-(1,1,2,2-tetrafluoroethyl)pyrimidin-4-yl]phenol.
What is the SMILES notation for 2-[2-phenyl-6-(1,1,2,2-tetrafluoroethyl)pyrimidin-4-yl]phenol?
The canonical SMILES for 2-[2-phenyl-6-(1,1,2,2-tetrafluoroethyl)pyrimidin-4-yl]phenol is Oc1ccccc1-c1cc(C(F)(F)C(F)F)nc(-c2ccccc2)n1.
What is the InChIKey of 2-[2-phenyl-6-(1,1,2,2-tetrafluoroethyl)pyrimidin-4-yl]phenol?
The InChIKey is QRDUPZWKIMRACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4N2O/c19-17(20)18(21,22)15-10-13(12-8-4-5-9-14(12)25)23-16(24-15)11-6-2-1-3-7-11/h1-10,17,25H.
What are the key properties of 2-[2-phenyl-6-(1,1,2,2-tetrafluoroethyl)pyrimidin-4-yl]phenol?
2-[2-phenyl-6-(1,1,2,2-tetrafluoroethyl)pyrimidin-4-yl]phenol has a molecular weight of 348.30 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-phenyl-6-(1,1,2,2-tetrafluoroethyl)pyrimidin-4-yl]phenol is sourced from PubChem (CID 659190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).