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

C12H10FNOS — CID 22630948

IUPAC(E)-2-fluoro-3-(5-pyridin-2-ylthiophen-2-yl)prop-2-en-1-ol
SMILESOC/C(F)=C\c1ccc(-c2ccccn2)s1
InChIInChI=1S/C12H10FNOS/c13-9(8-15)7-10-4-5-12(16-10)11-3-1-2-6-14-11/h1-7,15H,8H2/b9-7+
InChIKeyDLIXJQGSHONSSU-VQHVLOKHSA-N
MW235.28 g/mol
LogP3.11
Rot. Bonds3

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

(E)-2-fluoro-3-(5-pyridin-2-ylthiophen-2-yl)prop-2-en-1-ol (PubChem CID 22630948) has the molecular formula C12H10FNOS and a molecular weight of 235.28 g/mol. Its IUPAC name is (E)-2-fluoro-3-(5-pyridin-2-ylthiophen-2-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-2-fluoro-3-(5-pyridin-2-ylthiophen-2-yl)prop-2-en-1-ol
PubChem CID22630948
Molecular FormulaC12H10FNOS
Molecular Weight235.28 g/mol
Exact Mass235.05
IUPAC Name(E)-2-fluoro-3-(5-pyridin-2-ylthiophen-2-yl)prop-2-en-1-ol
SMILESOC/C(F)=C\c1ccc(-c2ccccn2)s1
InChIInChI=1S/C12H10FNOS/c13-9(8-15)7-10-4-5-12(16-10)11-3-1-2-6-14-11/h1-7,15H,8H2/b9-7+
InChIKeyDLIXJQGSHONSSU-VQHVLOKHSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-2-fluoro-3-(5-pyridin-2-ylthiophen-2-yl)prop-2-en-1-ol?
The IUPAC name of (E)-2-fluoro-3-(5-pyridin-2-ylthiophen-2-yl)prop-2-en-1-ol (CID 22630948) is (E)-2-fluoro-3-(5-pyridin-2-ylthiophen-2-yl)prop-2-en-1-ol.
What is the SMILES notation for (E)-2-fluoro-3-(5-pyridin-2-ylthiophen-2-yl)prop-2-en-1-ol?
The canonical SMILES for (E)-2-fluoro-3-(5-pyridin-2-ylthiophen-2-yl)prop-2-en-1-ol is OC/C(F)=C\c1ccc(-c2ccccn2)s1.
What is the InChIKey of (E)-2-fluoro-3-(5-pyridin-2-ylthiophen-2-yl)prop-2-en-1-ol?
The InChIKey is DLIXJQGSHONSSU-VQHVLOKHSA-N. The full InChI is InChI=1S/C12H10FNOS/c13-9(8-15)7-10-4-5-12(16-10)11-3-1-2-6-14-11/h1-7,15H,8H2/b9-7+.
What are the key properties of (E)-2-fluoro-3-(5-pyridin-2-ylthiophen-2-yl)prop-2-en-1-ol?
(E)-2-fluoro-3-(5-pyridin-2-ylthiophen-2-yl)prop-2-en-1-ol has a molecular weight of 235.28 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-fluoro-3-(5-pyridin-2-ylthiophen-2-yl)prop-2-en-1-ol is sourced from PubChem (CID 22630948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).