(Z)-2-fluoro-3-(5-pyridin-4-ylthiophen-2-yl)prop-1-en-1-ol

C12H10FNOS — CID 174475754

IUPAC(Z)-2-fluoro-3-(5-pyridin-4-ylthiophen-2-yl)prop-1-en-1-ol
SMILESO/C=C(\F)Cc1ccc(-c2ccncc2)s1
InChIInChI=1S/C12H10FNOS/c13-10(8-15)7-11-1-2-12(16-11)9-3-5-14-6-4-9/h1-6,8,15H,7H2/b10-8-
InChIKeyRGOBMMXVJRJQHA-NTMALXAHSA-N
MW235.28 g/mol
LogP3.72
Rot. Bonds3

About (Z)-2-fluoro-3-(5-pyridin-4-ylthiophen-2-yl)prop-1-en-1-ol

(Z)-2-fluoro-3-(5-pyridin-4-ylthiophen-2-yl)prop-1-en-1-ol (PubChem CID 174475754) has the molecular formula C12H10FNOS and a molecular weight of 235.28 g/mol. Its IUPAC name is (Z)-2-fluoro-3-(5-pyridin-4-ylthiophen-2-yl)prop-1-en-1-ol.

Molecular Properties

Compound Name(Z)-2-fluoro-3-(5-pyridin-4-ylthiophen-2-yl)prop-1-en-1-ol
PubChem CID174475754
Molecular FormulaC12H10FNOS
Molecular Weight235.28 g/mol
Exact Mass235.05
IUPAC Name(Z)-2-fluoro-3-(5-pyridin-4-ylthiophen-2-yl)prop-1-en-1-ol
SMILESO/C=C(\F)Cc1ccc(-c2ccncc2)s1
InChIInChI=1S/C12H10FNOS/c13-10(8-15)7-11-1-2-12(16-11)9-3-5-14-6-4-9/h1-6,8,15H,7H2/b10-8-
InChIKeyRGOBMMXVJRJQHA-NTMALXAHSA-N
XLogP3.72
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze (Z)-2-fluoro-3-(5-pyridin-4-ylthiophen-2-yl)prop-1-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-2-fluoro-3-(5-pyridin-4-ylthiophen-2-yl)prop-1-en-1-ol?
The IUPAC name of (Z)-2-fluoro-3-(5-pyridin-4-ylthiophen-2-yl)prop-1-en-1-ol (CID 174475754) is (Z)-2-fluoro-3-(5-pyridin-4-ylthiophen-2-yl)prop-1-en-1-ol.
What is the SMILES notation for (Z)-2-fluoro-3-(5-pyridin-4-ylthiophen-2-yl)prop-1-en-1-ol?
The canonical SMILES for (Z)-2-fluoro-3-(5-pyridin-4-ylthiophen-2-yl)prop-1-en-1-ol is O/C=C(\F)Cc1ccc(-c2ccncc2)s1.
What is the InChIKey of (Z)-2-fluoro-3-(5-pyridin-4-ylthiophen-2-yl)prop-1-en-1-ol?
The InChIKey is RGOBMMXVJRJQHA-NTMALXAHSA-N. The full InChI is InChI=1S/C12H10FNOS/c13-10(8-15)7-11-1-2-12(16-11)9-3-5-14-6-4-9/h1-6,8,15H,7H2/b10-8-.
What are the key properties of (Z)-2-fluoro-3-(5-pyridin-4-ylthiophen-2-yl)prop-1-en-1-ol?
(Z)-2-fluoro-3-(5-pyridin-4-ylthiophen-2-yl)prop-1-en-1-ol has a molecular weight of 235.28 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-fluoro-3-(5-pyridin-4-ylthiophen-2-yl)prop-1-en-1-ol is sourced from PubChem (CID 174475754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).