2-(5-fluoropyrimidin-2-yl)-1-phenylethanol

C12H11FN2O — CID 174489117

IUPAC2-(5-fluoropyrimidin-2-yl)-1-phenylethanol
SMILESOC(Cc1ncc(F)cn1)c1ccccc1
InChIInChI=1S/C12H11FN2O/c13-10-7-14-12(15-8-10)6-11(16)9-4-2-1-3-5-9/h1-5,7-8,11,16H,6H2
InChIKeyGAMCHXDVDUQUPE-UHFFFAOYSA-N
MW218.23 g/mol
LogP1.89
Rot. Bonds3

About 2-(5-fluoropyrimidin-2-yl)-1-phenylethanol

2-(5-fluoropyrimidin-2-yl)-1-phenylethanol (PubChem CID 174489117) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is 2-(5-fluoropyrimidin-2-yl)-1-phenylethanol.

Molecular Properties

Compound Name2-(5-fluoropyrimidin-2-yl)-1-phenylethanol
PubChem CID174489117
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name2-(5-fluoropyrimidin-2-yl)-1-phenylethanol
SMILESOC(Cc1ncc(F)cn1)c1ccccc1
InChIInChI=1S/C12H11FN2O/c13-10-7-14-12(15-8-10)6-11(16)9-4-2-1-3-5-9/h1-5,7-8,11,16H,6H2
InChIKeyGAMCHXDVDUQUPE-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoropyrimidin-2-yl)-1-phenylethanol?
The IUPAC name of 2-(5-fluoropyrimidin-2-yl)-1-phenylethanol (CID 174489117) is 2-(5-fluoropyrimidin-2-yl)-1-phenylethanol.
What is the SMILES notation for 2-(5-fluoropyrimidin-2-yl)-1-phenylethanol?
The canonical SMILES for 2-(5-fluoropyrimidin-2-yl)-1-phenylethanol is OC(Cc1ncc(F)cn1)c1ccccc1.
What is the InChIKey of 2-(5-fluoropyrimidin-2-yl)-1-phenylethanol?
The InChIKey is GAMCHXDVDUQUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c13-10-7-14-12(15-8-10)6-11(16)9-4-2-1-3-5-9/h1-5,7-8,11,16H,6H2.
What are the key properties of 2-(5-fluoropyrimidin-2-yl)-1-phenylethanol?
2-(5-fluoropyrimidin-2-yl)-1-phenylethanol has a molecular weight of 218.23 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoropyrimidin-2-yl)-1-phenylethanol is sourced from PubChem (CID 174489117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).