1-(5-fluoro-2-pyrimidin-2-ylsulfanylphenyl)ethanol

C12H11FN2OS — CID 55239472

IUPAC1-(5-fluoro-2-pyrimidin-2-ylsulfanylphenyl)ethanol
SMILESCC(O)c1cc(F)ccc1Sc1ncccn1
InChIInChI=1S/C12H11FN2OS/c1-8(16)10-7-9(13)3-4-11(10)17-12-14-5-2-6-15-12/h2-8,16H,1H3
InChIKeyVJJGTRSEWBRRNV-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.82
Rot. Bonds3

About 1-(5-fluoro-2-pyrimidin-2-ylsulfanylphenyl)ethanol

1-(5-fluoro-2-pyrimidin-2-ylsulfanylphenyl)ethanol (PubChem CID 55239472) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyrimidin-2-ylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name1-(5-fluoro-2-pyrimidin-2-ylsulfanylphenyl)ethanol
PubChem CID55239472
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC Name1-(5-fluoro-2-pyrimidin-2-ylsulfanylphenyl)ethanol
SMILESCC(O)c1cc(F)ccc1Sc1ncccn1
InChIInChI=1S/C12H11FN2OS/c1-8(16)10-7-9(13)3-4-11(10)17-12-14-5-2-6-15-12/h2-8,16H,1H3
InChIKeyVJJGTRSEWBRRNV-UHFFFAOYSA-N
XLogP2.82
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyrimidin-2-ylsulfanylphenyl)ethanol?
The IUPAC name of 1-(5-fluoro-2-pyrimidin-2-ylsulfanylphenyl)ethanol (CID 55239472) is 1-(5-fluoro-2-pyrimidin-2-ylsulfanylphenyl)ethanol.
What is the SMILES notation for 1-(5-fluoro-2-pyrimidin-2-ylsulfanylphenyl)ethanol?
The canonical SMILES for 1-(5-fluoro-2-pyrimidin-2-ylsulfanylphenyl)ethanol is CC(O)c1cc(F)ccc1Sc1ncccn1.
What is the InChIKey of 1-(5-fluoro-2-pyrimidin-2-ylsulfanylphenyl)ethanol?
The InChIKey is VJJGTRSEWBRRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OS/c1-8(16)10-7-9(13)3-4-11(10)17-12-14-5-2-6-15-12/h2-8,16H,1H3.
What are the key properties of 1-(5-fluoro-2-pyrimidin-2-ylsulfanylphenyl)ethanol?
1-(5-fluoro-2-pyrimidin-2-ylsulfanylphenyl)ethanol has a molecular weight of 250.30 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyrimidin-2-ylsulfanylphenyl)ethanol is sourced from PubChem (CID 55239472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).