2-[2-(2-fluorophenyl)pyrimidin-5-yl]oxyethanol

C12H11FN2O2 — CID 117230582

IUPAC2-[2-(2-fluorophenyl)pyrimidin-5-yl]oxyethanol
SMILESOCCOc1cnc(-c2ccccc2F)nc1
InChIInChI=1S/C12H11FN2O2/c13-11-4-2-1-3-10(11)12-14-7-9(8-15-12)17-6-5-16/h1-4,7-8,16H,5-6H2
InChIKeyQHXHFRCIQJVGFA-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.65
Rot. Bonds4

About 2-[2-(2-fluorophenyl)pyrimidin-5-yl]oxyethanol

2-[2-(2-fluorophenyl)pyrimidin-5-yl]oxyethanol (PubChem CID 117230582) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)pyrimidin-5-yl]oxyethanol.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)pyrimidin-5-yl]oxyethanol
PubChem CID117230582
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name2-[2-(2-fluorophenyl)pyrimidin-5-yl]oxyethanol
SMILESOCCOc1cnc(-c2ccccc2F)nc1
InChIInChI=1S/C12H11FN2O2/c13-11-4-2-1-3-10(11)12-14-7-9(8-15-12)17-6-5-16/h1-4,7-8,16H,5-6H2
InChIKeyQHXHFRCIQJVGFA-UHFFFAOYSA-N
XLogP1.65
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-fluorophenyl)pyrimidin-5-yl]oxyacetic acid
CID 117229820
3-[4-(2-fluorophenyl)phenoxy]propan-1-amine
CID 39348686
2-[2-(3-methoxyphenyl)pyrimidin-5-yl]oxyethanol
CID 117230603
N'-[2-(2-fluorophenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117212334
2-(2-methylpyrimidin-5-yl)oxyethanol
CID 117230630
2-[(6-chloro-5-fluoro-3-pyridinyl)oxy]ethanol
CID 155272542
2-(2-fluoro-4-heptoxyphenyl)-5-nonoxypyrimidine
CID 15065975
2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 115080371
2-quinolin-3-yloxyethanol
CID 102847036
1,4-bis(2-fluorophenyl)benzene
CID 58121760
2-(2-fluorophenyl)-N-phenylpyrimidine-5-carboxamide
CID 16666417
N-methyl-3-[2-(2-methylphenyl)pyrimidin-5-yl]oxypropan-1-amine
CID 117231244

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)pyrimidin-5-yl]oxyethanol?
The IUPAC name of 2-[2-(2-fluorophenyl)pyrimidin-5-yl]oxyethanol (CID 117230582) is 2-[2-(2-fluorophenyl)pyrimidin-5-yl]oxyethanol.
What is the SMILES notation for 2-[2-(2-fluorophenyl)pyrimidin-5-yl]oxyethanol?
The canonical SMILES for 2-[2-(2-fluorophenyl)pyrimidin-5-yl]oxyethanol is OCCOc1cnc(-c2ccccc2F)nc1.
What is the InChIKey of 2-[2-(2-fluorophenyl)pyrimidin-5-yl]oxyethanol?
The InChIKey is QHXHFRCIQJVGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c13-11-4-2-1-3-10(11)12-14-7-9(8-15-12)17-6-5-16/h1-4,7-8,16H,5-6H2.
What are the key properties of 2-[2-(2-fluorophenyl)pyrimidin-5-yl]oxyethanol?
2-[2-(2-fluorophenyl)pyrimidin-5-yl]oxyethanol has a molecular weight of 234.23 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)pyrimidin-5-yl]oxyethanol is sourced from PubChem (CID 117230582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).