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

C11H9FN2S — CID 91044815

IUPAC2-[5-(1-fluoroprop-2-enyl)thiophen-2-yl]pyrimidine
SMILESC=CC(F)c1ccc(-c2ncccn2)s1
InChIInChI=1S/C11H9FN2S/c1-2-8(12)9-4-5-10(15-9)11-13-6-3-7-14-11/h2-8H,1H2
InChIKeySMBJPVPPXGMFEE-UHFFFAOYSA-N
MW220.27 g/mol
LogP3.40
Rot. Bonds3

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

2-[5-(1-fluoroprop-2-enyl)thiophen-2-yl]pyrimidine (PubChem CID 91044815) has the molecular formula C11H9FN2S and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-[5-(1-fluoroprop-2-enyl)thiophen-2-yl]pyrimidine.

Molecular Properties

Compound Name2-[5-(1-fluoroprop-2-enyl)thiophen-2-yl]pyrimidine
PubChem CID91044815
Molecular FormulaC11H9FN2S
Molecular Weight220.27 g/mol
Exact Mass220.05
IUPAC Name2-[5-(1-fluoroprop-2-enyl)thiophen-2-yl]pyrimidine
SMILESC=CC(F)c1ccc(-c2ncccn2)s1
InChIInChI=1S/C11H9FN2S/c1-2-8(12)9-4-5-10(15-9)11-13-6-3-7-14-11/h2-8H,1H2
InChIKeySMBJPVPPXGMFEE-UHFFFAOYSA-N
XLogP3.40
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-fluoroprop-2-enyl)thiophen-2-yl]pyrimidine?
The IUPAC name of 2-[5-(1-fluoroprop-2-enyl)thiophen-2-yl]pyrimidine (CID 91044815) is 2-[5-(1-fluoroprop-2-enyl)thiophen-2-yl]pyrimidine.
What is the SMILES notation for 2-[5-(1-fluoroprop-2-enyl)thiophen-2-yl]pyrimidine?
The canonical SMILES for 2-[5-(1-fluoroprop-2-enyl)thiophen-2-yl]pyrimidine is C=CC(F)c1ccc(-c2ncccn2)s1.
What is the InChIKey of 2-[5-(1-fluoroprop-2-enyl)thiophen-2-yl]pyrimidine?
The InChIKey is SMBJPVPPXGMFEE-UHFFFAOYSA-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/h2-8H,1H2.
What are the key properties of 2-[5-(1-fluoroprop-2-enyl)thiophen-2-yl]pyrimidine?
2-[5-(1-fluoroprop-2-enyl)thiophen-2-yl]pyrimidine has a molecular weight of 220.27 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-fluoroprop-2-enyl)thiophen-2-yl]pyrimidine is sourced from PubChem (CID 91044815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).