2-[5-[(Z)-1-fluoroprop-1-enyl]thiophen-2-yl]pyrimidine

C11H9FN2S — CID 152538531

IUPAC2-[5-[(Z)-1-fluoroprop-1-enyl]thiophen-2-yl]pyrimidine
SMILESC/C=C(\F)c1ccc(-c2ncccn2)s1
InChIInChI=1S/C11H9FN2S/c1-2-8(12)9-4-5-10(15-9)11-13-6-3-7-14-11/h2-7H,1H3/b8-2-
InChIKeyYLAUGQOJYVIGLF-WAPJZHGLSA-N
MW220.27 g/mol
LogP3.54
Rot. Bonds2

About 2-[5-[(Z)-1-fluoroprop-1-enyl]thiophen-2-yl]pyrimidine

2-[5-[(Z)-1-fluoroprop-1-enyl]thiophen-2-yl]pyrimidine (PubChem CID 152538531) has the molecular formula C11H9FN2S and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-[5-[(Z)-1-fluoroprop-1-enyl]thiophen-2-yl]pyrimidine.

Molecular Properties

Compound Name2-[5-[(Z)-1-fluoroprop-1-enyl]thiophen-2-yl]pyrimidine
PubChem CID152538531
Molecular FormulaC11H9FN2S
Molecular Weight220.27 g/mol
Exact Mass220.05
IUPAC Name2-[5-[(Z)-1-fluoroprop-1-enyl]thiophen-2-yl]pyrimidine
SMILESC/C=C(\F)c1ccc(-c2ncccn2)s1
InChIInChI=1S/C11H9FN2S/c1-2-8(12)9-4-5-10(15-9)11-13-6-3-7-14-11/h2-7H,1H3/b8-2-
InChIKeyYLAUGQOJYVIGLF-WAPJZHGLSA-N
XLogP3.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(Z)-1-fluoroprop-1-enyl]thiophen-2-yl]pyrimidine?
The IUPAC name of 2-[5-[(Z)-1-fluoroprop-1-enyl]thiophen-2-yl]pyrimidine (CID 152538531) is 2-[5-[(Z)-1-fluoroprop-1-enyl]thiophen-2-yl]pyrimidine.
What is the SMILES notation for 2-[5-[(Z)-1-fluoroprop-1-enyl]thiophen-2-yl]pyrimidine?
The canonical SMILES for 2-[5-[(Z)-1-fluoroprop-1-enyl]thiophen-2-yl]pyrimidine is C/C=C(\F)c1ccc(-c2ncccn2)s1.
What is the InChIKey of 2-[5-[(Z)-1-fluoroprop-1-enyl]thiophen-2-yl]pyrimidine?
The InChIKey is YLAUGQOJYVIGLF-WAPJZHGLSA-N. The full InChI is InChI=1S/C11H9FN2S/c1-2-8(12)9-4-5-10(15-9)11-13-6-3-7-14-11/h2-7H,1H3/b8-2-.
What are the key properties of 2-[5-[(Z)-1-fluoroprop-1-enyl]thiophen-2-yl]pyrimidine?
2-[5-[(Z)-1-fluoroprop-1-enyl]thiophen-2-yl]pyrimidine has a molecular weight of 220.27 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(Z)-1-fluoroprop-1-enyl]thiophen-2-yl]pyrimidine is sourced from PubChem (CID 152538531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).