1-(3-fluorophenyl)-1-pyrazin-2-ylpropan-1-ol

C13H13FN2O — CID 114872383

IUPAC1-(3-fluorophenyl)-1-pyrazin-2-ylpropan-1-ol
SMILESCCC(O)(c1cccc(F)c1)c1cnccn1
InChIInChI=1S/C13H13FN2O/c1-2-13(17,12-9-15-6-7-16-12)10-4-3-5-11(14)8-10/h3-9,17H,2H2,1H3
InChIKeyKUTSMTBQVXBPQP-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.26
Rot. Bonds3

About 1-(3-fluorophenyl)-1-pyrazin-2-ylpropan-1-ol

1-(3-fluorophenyl)-1-pyrazin-2-ylpropan-1-ol (PubChem CID 114872383) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-1-pyrazin-2-ylpropan-1-ol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-1-pyrazin-2-ylpropan-1-ol
PubChem CID114872383
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name1-(3-fluorophenyl)-1-pyrazin-2-ylpropan-1-ol
SMILESCCC(O)(c1cccc(F)c1)c1cnccn1
InChIInChI=1S/C13H13FN2O/c1-2-13(17,12-9-15-6-7-16-12)10-4-3-5-11(14)8-10/h3-9,17H,2H2,1H3
InChIKeyKUTSMTBQVXBPQP-UHFFFAOYSA-N
XLogP2.26
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 114872417
1-(4-ethylphenyl)-1-(3-fluorophenyl)propan-1-ol
CID 114872344
1-(2-amino-3-pyridinyl)-1-(3-fluorophenyl)propan-1-ol
CID 114872419
1-(4-bromo-1-methylpyrazol-5-yl)-1-(3-fluorophenyl)propan-1-ol
CID 114872490
1-(3-chloro-4-pyridinyl)-2-(3-fluorophenyl)butan-2-ol
CID 114872585
1-(3-fluorophenyl)-1-(5-methylthiophen-3-yl)propan-1-ol
CID 114872384
1-(5-fluoro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol
CID 114872327
(1S)-1-phenyl-1-pyridin-2-ylpropan-1-ol
CID 12522815
1-(3,4-dichlorophenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 112585922
2-amino-1,1-bis(3-fluorophenyl)ethanol
CID 71663464
CID 59612023
CID 59612023
1-(1-ethyl-4-methoxypyrazol-5-yl)-1-(3-fluorophenyl)propan-1-ol
CID 114872310

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-1-pyrazin-2-ylpropan-1-ol?
The IUPAC name of 1-(3-fluorophenyl)-1-pyrazin-2-ylpropan-1-ol (CID 114872383) is 1-(3-fluorophenyl)-1-pyrazin-2-ylpropan-1-ol.
What is the SMILES notation for 1-(3-fluorophenyl)-1-pyrazin-2-ylpropan-1-ol?
The canonical SMILES for 1-(3-fluorophenyl)-1-pyrazin-2-ylpropan-1-ol is CCC(O)(c1cccc(F)c1)c1cnccn1.
What is the InChIKey of 1-(3-fluorophenyl)-1-pyrazin-2-ylpropan-1-ol?
The InChIKey is KUTSMTBQVXBPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-2-13(17,12-9-15-6-7-16-12)10-4-3-5-11(14)8-10/h3-9,17H,2H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-1-pyrazin-2-ylpropan-1-ol?
1-(3-fluorophenyl)-1-pyrazin-2-ylpropan-1-ol has a molecular weight of 232.26 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-1-pyrazin-2-ylpropan-1-ol is sourced from PubChem (CID 114872383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).