2-(2-fluorophenyl)sulfanyl-1-pyrazin-2-ylethanol

C12H11FN2OS — CID 66051518

IUPAC2-(2-fluorophenyl)sulfanyl-1-pyrazin-2-ylethanol
SMILESOC(CSc1ccccc1F)c1cnccn1
InChIInChI=1S/C12H11FN2OS/c13-9-3-1-2-4-12(9)17-8-11(16)10-7-14-5-6-15-10/h1-7,11,16H,8H2
InChIKeyHPKLCEARMAMUIN-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.44
Rot. Bonds4

About 2-(2-fluorophenyl)sulfanyl-1-pyrazin-2-ylethanol

2-(2-fluorophenyl)sulfanyl-1-pyrazin-2-ylethanol (PubChem CID 66051518) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-1-pyrazin-2-ylethanol.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-1-pyrazin-2-ylethanol
PubChem CID66051518
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC Name2-(2-fluorophenyl)sulfanyl-1-pyrazin-2-ylethanol
SMILESOC(CSc1ccccc1F)c1cnccn1
InChIInChI=1S/C12H11FN2OS/c13-9-3-1-2-4-12(9)17-8-11(16)10-7-14-5-6-15-10/h1-7,11,16H,8H2
InChIKeyHPKLCEARMAMUIN-UHFFFAOYSA-N
XLogP2.44
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanyl-1-pyrazin-2-ylethanol?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-1-pyrazin-2-ylethanol (CID 66051518) is 2-(2-fluorophenyl)sulfanyl-1-pyrazin-2-ylethanol.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-1-pyrazin-2-ylethanol?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-1-pyrazin-2-ylethanol is OC(CSc1ccccc1F)c1cnccn1.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-1-pyrazin-2-ylethanol?
The InChIKey is HPKLCEARMAMUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OS/c13-9-3-1-2-4-12(9)17-8-11(16)10-7-14-5-6-15-10/h1-7,11,16H,8H2.
What are the key properties of 2-(2-fluorophenyl)sulfanyl-1-pyrazin-2-ylethanol?
2-(2-fluorophenyl)sulfanyl-1-pyrazin-2-ylethanol has a molecular weight of 250.30 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanyl-1-pyrazin-2-ylethanol is sourced from PubChem (CID 66051518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).