(1R)-1-(2-fluoro-6-pyrimidin-4-ylsulfanylphenyl)ethanol

C12H11FN2OS — CID 55239486

IUPAC(1R)-1-(2-fluoro-6-pyrimidin-4-ylsulfanylphenyl)ethanol
SMILESC[C@@H](O)c1c(F)cccc1Sc1ccncn1
InChIInChI=1S/C12H11FN2OS/c1-8(16)12-9(13)3-2-4-10(12)17-11-5-6-14-7-15-11/h2-8,16H,1H3/t8-/m1/s1
InChIKeyYBNFKTRMPVNHDX-MRVPVSSYSA-N
MW250.30 g/mol
LogP2.82
Rot. Bonds3

About (1R)-1-(2-fluoro-6-pyrimidin-4-ylsulfanylphenyl)ethanol

(1R)-1-(2-fluoro-6-pyrimidin-4-ylsulfanylphenyl)ethanol (PubChem CID 55239486) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is (1R)-1-(2-fluoro-6-pyrimidin-4-ylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name(1R)-1-(2-fluoro-6-pyrimidin-4-ylsulfanylphenyl)ethanol
PubChem CID55239486
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC Name(1R)-1-(2-fluoro-6-pyrimidin-4-ylsulfanylphenyl)ethanol
SMILESC[C@@H](O)c1c(F)cccc1Sc1ccncn1
InChIInChI=1S/C12H11FN2OS/c1-8(16)12-9(13)3-2-4-10(12)17-11-5-6-14-7-15-11/h2-8,16H,1H3/t8-/m1/s1
InChIKeyYBNFKTRMPVNHDX-MRVPVSSYSA-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 (1R)-1-(2-fluoro-6-pyrimidin-4-ylsulfanylphenyl)ethanol?
The IUPAC name of (1R)-1-(2-fluoro-6-pyrimidin-4-ylsulfanylphenyl)ethanol (CID 55239486) is (1R)-1-(2-fluoro-6-pyrimidin-4-ylsulfanylphenyl)ethanol.
What is the SMILES notation for (1R)-1-(2-fluoro-6-pyrimidin-4-ylsulfanylphenyl)ethanol?
The canonical SMILES for (1R)-1-(2-fluoro-6-pyrimidin-4-ylsulfanylphenyl)ethanol is C[C@@H](O)c1c(F)cccc1Sc1ccncn1.
What is the InChIKey of (1R)-1-(2-fluoro-6-pyrimidin-4-ylsulfanylphenyl)ethanol?
The InChIKey is YBNFKTRMPVNHDX-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H11FN2OS/c1-8(16)12-9(13)3-2-4-10(12)17-11-5-6-14-7-15-11/h2-8,16H,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-(2-fluoro-6-pyrimidin-4-ylsulfanylphenyl)ethanol?
(1R)-1-(2-fluoro-6-pyrimidin-4-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 (1R)-1-(2-fluoro-6-pyrimidin-4-ylsulfanylphenyl)ethanol is sourced from PubChem (CID 55239486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).