2-(2-fluoro-5-pyrimidin-2-ylphenyl)ethanol

C12H11FN2O — CID 142687411

IUPAC2-(2-fluoro-5-pyrimidin-2-ylphenyl)ethanol
SMILESOCCc1cc(-c2ncccn2)ccc1F
InChIInChI=1S/C12H11FN2O/c13-11-3-2-10(8-9(11)4-7-16)12-14-5-1-6-15-12/h1-3,5-6,8,16H,4,7H2
InChIKeyPCVWRJMPUHILSY-UHFFFAOYSA-N
MW218.23 g/mol
LogP1.82
Rot. Bonds3

About 2-(2-fluoro-5-pyrimidin-2-ylphenyl)ethanol

2-(2-fluoro-5-pyrimidin-2-ylphenyl)ethanol (PubChem CID 142687411) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is 2-(2-fluoro-5-pyrimidin-2-ylphenyl)ethanol.

Molecular Properties

Compound Name2-(2-fluoro-5-pyrimidin-2-ylphenyl)ethanol
PubChem CID142687411
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name2-(2-fluoro-5-pyrimidin-2-ylphenyl)ethanol
SMILESOCCc1cc(-c2ncccn2)ccc1F
InChIInChI=1S/C12H11FN2O/c13-11-3-2-10(8-9(11)4-7-16)12-14-5-1-6-15-12/h1-3,5-6,8,16H,4,7H2
InChIKeyPCVWRJMPUHILSY-UHFFFAOYSA-N
XLogP1.82
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-pyrimidin-2-ylphenyl)ethanol?
The IUPAC name of 2-(2-fluoro-5-pyrimidin-2-ylphenyl)ethanol (CID 142687411) is 2-(2-fluoro-5-pyrimidin-2-ylphenyl)ethanol.
What is the SMILES notation for 2-(2-fluoro-5-pyrimidin-2-ylphenyl)ethanol?
The canonical SMILES for 2-(2-fluoro-5-pyrimidin-2-ylphenyl)ethanol is OCCc1cc(-c2ncccn2)ccc1F.
What is the InChIKey of 2-(2-fluoro-5-pyrimidin-2-ylphenyl)ethanol?
The InChIKey is PCVWRJMPUHILSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c13-11-3-2-10(8-9(11)4-7-16)12-14-5-1-6-15-12/h1-3,5-6,8,16H,4,7H2.
What are the key properties of 2-(2-fluoro-5-pyrimidin-2-ylphenyl)ethanol?
2-(2-fluoro-5-pyrimidin-2-ylphenyl)ethanol has a molecular weight of 218.23 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-pyrimidin-2-ylphenyl)ethanol is sourced from PubChem (CID 142687411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).