(Z)-3-fluoro-3-(4-pyrimidin-4-ylthiophen-2-yl)prop-2-en-1-ol

C11H9FN2OS — CID 22631159

IUPAC(Z)-3-fluoro-3-(4-pyrimidin-4-ylthiophen-2-yl)prop-2-en-1-ol
SMILESOC/C=C(\F)c1cc(-c2ccncn2)cs1
InChIInChI=1S/C11H9FN2OS/c12-9(2-4-15)11-5-8(6-16-11)10-1-3-13-7-14-10/h1-3,5-7,15H,4H2/b9-2-
InChIKeyYGQCAAFZEZMELH-MBXJOHMKSA-N
MW236.27 g/mol
LogP2.51
Rot. Bonds3

About (Z)-3-fluoro-3-(4-pyrimidin-4-ylthiophen-2-yl)prop-2-en-1-ol

(Z)-3-fluoro-3-(4-pyrimidin-4-ylthiophen-2-yl)prop-2-en-1-ol (PubChem CID 22631159) has the molecular formula C11H9FN2OS and a molecular weight of 236.27 g/mol. Its IUPAC name is (Z)-3-fluoro-3-(4-pyrimidin-4-ylthiophen-2-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-fluoro-3-(4-pyrimidin-4-ylthiophen-2-yl)prop-2-en-1-ol
PubChem CID22631159
Molecular FormulaC11H9FN2OS
Molecular Weight236.27 g/mol
Exact Mass236.04
IUPAC Name(Z)-3-fluoro-3-(4-pyrimidin-4-ylthiophen-2-yl)prop-2-en-1-ol
SMILESOC/C=C(\F)c1cc(-c2ccncn2)cs1
InChIInChI=1S/C11H9FN2OS/c12-9(2-4-15)11-5-8(6-16-11)10-1-3-13-7-14-10/h1-3,5-7,15H,4H2/b9-2-
InChIKeyYGQCAAFZEZMELH-MBXJOHMKSA-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 (Z)-3-fluoro-3-(4-pyrimidin-4-ylthiophen-2-yl)prop-2-en-1-ol?
The IUPAC name of (Z)-3-fluoro-3-(4-pyrimidin-4-ylthiophen-2-yl)prop-2-en-1-ol (CID 22631159) is (Z)-3-fluoro-3-(4-pyrimidin-4-ylthiophen-2-yl)prop-2-en-1-ol.
What is the SMILES notation for (Z)-3-fluoro-3-(4-pyrimidin-4-ylthiophen-2-yl)prop-2-en-1-ol?
The canonical SMILES for (Z)-3-fluoro-3-(4-pyrimidin-4-ylthiophen-2-yl)prop-2-en-1-ol is OC/C=C(\F)c1cc(-c2ccncn2)cs1.
What is the InChIKey of (Z)-3-fluoro-3-(4-pyrimidin-4-ylthiophen-2-yl)prop-2-en-1-ol?
The InChIKey is YGQCAAFZEZMELH-MBXJOHMKSA-N. The full InChI is InChI=1S/C11H9FN2OS/c12-9(2-4-15)11-5-8(6-16-11)10-1-3-13-7-14-10/h1-3,5-7,15H,4H2/b9-2-.
What are the key properties of (Z)-3-fluoro-3-(4-pyrimidin-4-ylthiophen-2-yl)prop-2-en-1-ol?
(Z)-3-fluoro-3-(4-pyrimidin-4-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 (Z)-3-fluoro-3-(4-pyrimidin-4-ylthiophen-2-yl)prop-2-en-1-ol is sourced from PubChem (CID 22631159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).