2-ethenyl-2-fluoro-1H-pyrimidine

C6H7FN2 — CID 68881557

IUPAC2-ethenyl-2-fluoro-1H-pyrimidine
SMILESC=CC1(F)N=CC=CN1
InChIInChI=1S/C6H7FN2/c1-2-6(7)8-4-3-5-9-6/h2-5,8H,1H2
InChIKeySUKVVEQDOKXLDO-UHFFFAOYSA-N
MW126.13 g/mol
LogP0.98
Rot. Bonds1

About 2-ethenyl-2-fluoro-1H-pyrimidine

2-ethenyl-2-fluoro-1H-pyrimidine (PubChem CID 68881557) has the molecular formula C6H7FN2 and a molecular weight of 126.13 g/mol. Its IUPAC name is 2-ethenyl-2-fluoro-1H-pyrimidine.

Molecular Properties

Compound Name2-ethenyl-2-fluoro-1H-pyrimidine
PubChem CID68881557
Molecular FormulaC6H7FN2
Molecular Weight126.13 g/mol
Exact Mass126.06
IUPAC Name2-ethenyl-2-fluoro-1H-pyrimidine
SMILESC=CC1(F)N=CC=CN1
InChIInChI=1S/C6H7FN2/c1-2-6(7)8-4-3-5-9-6/h2-5,8H,1H2
InChIKeySUKVVEQDOKXLDO-UHFFFAOYSA-N
XLogP0.98
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.13
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-2-fluoro-1H-pyrimidine?
The IUPAC name of 2-ethenyl-2-fluoro-1H-pyrimidine (CID 68881557) is 2-ethenyl-2-fluoro-1H-pyrimidine.
What is the SMILES notation for 2-ethenyl-2-fluoro-1H-pyrimidine?
The canonical SMILES for 2-ethenyl-2-fluoro-1H-pyrimidine is C=CC1(F)N=CC=CN1.
What is the InChIKey of 2-ethenyl-2-fluoro-1H-pyrimidine?
The InChIKey is SUKVVEQDOKXLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2/c1-2-6(7)8-4-3-5-9-6/h2-5,8H,1H2.
What are the key properties of 2-ethenyl-2-fluoro-1H-pyrimidine?
2-ethenyl-2-fluoro-1H-pyrimidine has a molecular weight of 126.13 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2-fluoro-1H-pyrimidine is sourced from PubChem (CID 68881557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).