(E)-2-fluoro-3-(4-pyrazin-2-ylthiophen-2-yl)prop-2-en-1-ol

C11H9FN2OS — CID 22630823

IUPAC(E)-2-fluoro-3-(4-pyrazin-2-ylthiophen-2-yl)prop-2-en-1-ol
SMILESOC/C(F)=C\c1cc(-c2cnccn2)cs1
InChIInChI=1S/C11H9FN2OS/c12-9(6-15)4-10-3-8(7-16-10)11-5-13-1-2-14-11/h1-5,7,15H,6H2/b9-4+
InChIKeyLNKXABDVNUYPDX-RUDMXATFSA-N
MW236.27 g/mol
LogP2.51
Rot. Bonds3

About (E)-2-fluoro-3-(4-pyrazin-2-ylthiophen-2-yl)prop-2-en-1-ol

(E)-2-fluoro-3-(4-pyrazin-2-ylthiophen-2-yl)prop-2-en-1-ol (PubChem CID 22630823) has the molecular formula C11H9FN2OS and a molecular weight of 236.27 g/mol. Its IUPAC name is (E)-2-fluoro-3-(4-pyrazin-2-ylthiophen-2-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-2-fluoro-3-(4-pyrazin-2-ylthiophen-2-yl)prop-2-en-1-ol
PubChem CID22630823
Molecular FormulaC11H9FN2OS
Molecular Weight236.27 g/mol
Exact Mass236.04
IUPAC Name(E)-2-fluoro-3-(4-pyrazin-2-ylthiophen-2-yl)prop-2-en-1-ol
SMILESOC/C(F)=C\c1cc(-c2cnccn2)cs1
InChIInChI=1S/C11H9FN2OS/c12-9(6-15)4-10-3-8(7-16-10)11-5-13-1-2-14-11/h1-5,7,15H,6H2/b9-4+
InChIKeyLNKXABDVNUYPDX-RUDMXATFSA-N
XLogP2.51
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-2-fluoro-3-(4-pyrazin-2-ylthiophen-2-yl)prop-2-en-1-ol?
The IUPAC name of (E)-2-fluoro-3-(4-pyrazin-2-ylthiophen-2-yl)prop-2-en-1-ol (CID 22630823) is (E)-2-fluoro-3-(4-pyrazin-2-ylthiophen-2-yl)prop-2-en-1-ol.
What is the SMILES notation for (E)-2-fluoro-3-(4-pyrazin-2-ylthiophen-2-yl)prop-2-en-1-ol?
The canonical SMILES for (E)-2-fluoro-3-(4-pyrazin-2-ylthiophen-2-yl)prop-2-en-1-ol is OC/C(F)=C\c1cc(-c2cnccn2)cs1.
What is the InChIKey of (E)-2-fluoro-3-(4-pyrazin-2-ylthiophen-2-yl)prop-2-en-1-ol?
The InChIKey is LNKXABDVNUYPDX-RUDMXATFSA-N. The full InChI is InChI=1S/C11H9FN2OS/c12-9(6-15)4-10-3-8(7-16-10)11-5-13-1-2-14-11/h1-5,7,15H,6H2/b9-4+.
What are the key properties of (E)-2-fluoro-3-(4-pyrazin-2-ylthiophen-2-yl)prop-2-en-1-ol?
(E)-2-fluoro-3-(4-pyrazin-2-ylthiophen-2-yl)prop-2-en-1-ol has a molecular weight of 236.27 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-fluoro-3-(4-pyrazin-2-ylthiophen-2-yl)prop-2-en-1-ol is sourced from PubChem (CID 22630823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).