(Z)-3-fluoro-3-(4-pyrazin-2-ylphenyl)prop-2-en-1-ol

C13H11FN2O — CID 22630849

IUPAC(Z)-3-fluoro-3-(4-pyrazin-2-ylphenyl)prop-2-en-1-ol
SMILESOC/C=C(\F)c1ccc(-c2cnccn2)cc1
InChIInChI=1S/C13H11FN2O/c14-12(5-8-17)10-1-3-11(4-2-10)13-9-15-6-7-16-13/h1-7,9,17H,8H2/b12-5-
InChIKeyLBUCDZRRVBWWIL-XGICHPGQSA-N
MW230.24 g/mol
LogP2.45
Rot. Bonds3

About (Z)-3-fluoro-3-(4-pyrazin-2-ylphenyl)prop-2-en-1-ol

(Z)-3-fluoro-3-(4-pyrazin-2-ylphenyl)prop-2-en-1-ol (PubChem CID 22630849) has the molecular formula C13H11FN2O and a molecular weight of 230.24 g/mol. Its IUPAC name is (Z)-3-fluoro-3-(4-pyrazin-2-ylphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-fluoro-3-(4-pyrazin-2-ylphenyl)prop-2-en-1-ol
PubChem CID22630849
Molecular FormulaC13H11FN2O
Molecular Weight230.24 g/mol
Exact Mass230.09
IUPAC Name(Z)-3-fluoro-3-(4-pyrazin-2-ylphenyl)prop-2-en-1-ol
SMILESOC/C=C(\F)c1ccc(-c2cnccn2)cc1
InChIInChI=1S/C13H11FN2O/c14-12(5-8-17)10-1-3-11(4-2-10)13-9-15-6-7-16-13/h1-7,9,17H,8H2/b12-5-
InChIKeyLBUCDZRRVBWWIL-XGICHPGQSA-N
XLogP2.45
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-fluoro-3-(4-pyrazin-2-ylphenyl)prop-2-en-1-ol?
The IUPAC name of (Z)-3-fluoro-3-(4-pyrazin-2-ylphenyl)prop-2-en-1-ol (CID 22630849) is (Z)-3-fluoro-3-(4-pyrazin-2-ylphenyl)prop-2-en-1-ol.
What is the SMILES notation for (Z)-3-fluoro-3-(4-pyrazin-2-ylphenyl)prop-2-en-1-ol?
The canonical SMILES for (Z)-3-fluoro-3-(4-pyrazin-2-ylphenyl)prop-2-en-1-ol is OC/C=C(\F)c1ccc(-c2cnccn2)cc1.
What is the InChIKey of (Z)-3-fluoro-3-(4-pyrazin-2-ylphenyl)prop-2-en-1-ol?
The InChIKey is LBUCDZRRVBWWIL-XGICHPGQSA-N. The full InChI is InChI=1S/C13H11FN2O/c14-12(5-8-17)10-1-3-11(4-2-10)13-9-15-6-7-16-13/h1-7,9,17H,8H2/b12-5-.
What are the key properties of (Z)-3-fluoro-3-(4-pyrazin-2-ylphenyl)prop-2-en-1-ol?
(Z)-3-fluoro-3-(4-pyrazin-2-ylphenyl)prop-2-en-1-ol has a molecular weight of 230.24 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-fluoro-3-(4-pyrazin-2-ylphenyl)prop-2-en-1-ol is sourced from PubChem (CID 22630849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).