5-(6-fluorohept-1-enyl)pyrimidine

C11H15FN2 — CID 142658350

IUPAC5-(6-fluorohept-1-enyl)pyrimidine
SMILESCC(F)CCCC=Cc1cncnc1
InChIInChI=1S/C11H15FN2/c1-10(12)5-3-2-4-6-11-7-13-9-14-8-11/h4,6-10H,2-3,5H2,1H3
InChIKeyIEYZYVJPEQTRHR-UHFFFAOYSA-N
MW194.25 g/mol
LogP3.02
Rot. Bonds5

About 5-(6-fluorohept-1-enyl)pyrimidine

5-(6-fluorohept-1-enyl)pyrimidine (PubChem CID 142658350) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is 5-(6-fluorohept-1-enyl)pyrimidine.

Molecular Properties

Compound Name5-(6-fluorohept-1-enyl)pyrimidine
PubChem CID142658350
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name5-(6-fluorohept-1-enyl)pyrimidine
SMILESCC(F)CCCC=Cc1cncnc1
InChIInChI=1S/C11H15FN2/c1-10(12)5-3-2-4-6-11-7-13-9-14-8-11/h4,6-10H,2-3,5H2,1H3
InChIKeyIEYZYVJPEQTRHR-UHFFFAOYSA-N
XLogP3.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(6-fluorohept-1-enyl)pyrimidine?
The IUPAC name of 5-(6-fluorohept-1-enyl)pyrimidine (CID 142658350) is 5-(6-fluorohept-1-enyl)pyrimidine.
What is the SMILES notation for 5-(6-fluorohept-1-enyl)pyrimidine?
The canonical SMILES for 5-(6-fluorohept-1-enyl)pyrimidine is CC(F)CCCC=Cc1cncnc1.
What is the InChIKey of 5-(6-fluorohept-1-enyl)pyrimidine?
The InChIKey is IEYZYVJPEQTRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2/c1-10(12)5-3-2-4-6-11-7-13-9-14-8-11/h4,6-10H,2-3,5H2,1H3.
What are the key properties of 5-(6-fluorohept-1-enyl)pyrimidine?
5-(6-fluorohept-1-enyl)pyrimidine has a molecular weight of 194.25 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluorohept-1-enyl)pyrimidine is sourced from PubChem (CID 142658350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).