2-[(E)-but-1-enyl]-5-fluoropyrimidine

C8H9FN2 — CID 134542755

IUPAC2-[(E)-but-1-enyl]-5-fluoropyrimidine
SMILESCC/C=C/c1ncc(F)cn1
InChIInChI=1S/C8H9FN2/c1-2-3-4-8-10-5-7(9)6-11-8/h3-6H,2H2,1H3/b4-3+
InChIKeyGXHZYPRNIWNSNJ-ONEGZZNKSA-N
MW152.17 g/mol
LogP2.04
Rot. Bonds2

About 2-[(E)-but-1-enyl]-5-fluoropyrimidine

2-[(E)-but-1-enyl]-5-fluoropyrimidine (PubChem CID 134542755) has the molecular formula C8H9FN2 and a molecular weight of 152.17 g/mol. Its IUPAC name is 2-[(E)-but-1-enyl]-5-fluoropyrimidine.

Molecular Properties

Compound Name2-[(E)-but-1-enyl]-5-fluoropyrimidine
PubChem CID134542755
Molecular FormulaC8H9FN2
Molecular Weight152.17 g/mol
Exact Mass152.07
IUPAC Name2-[(E)-but-1-enyl]-5-fluoropyrimidine
SMILESCC/C=C/c1ncc(F)cn1
InChIInChI=1S/C8H9FN2/c1-2-3-4-8-10-5-7(9)6-11-8/h3-6H,2H2,1H3/b4-3+
InChIKeyGXHZYPRNIWNSNJ-ONEGZZNKSA-N
XLogP2.04
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-1-enyl]-5-fluoropyrimidine?
The IUPAC name of 2-[(E)-but-1-enyl]-5-fluoropyrimidine (CID 134542755) is 2-[(E)-but-1-enyl]-5-fluoropyrimidine.
What is the SMILES notation for 2-[(E)-but-1-enyl]-5-fluoropyrimidine?
The canonical SMILES for 2-[(E)-but-1-enyl]-5-fluoropyrimidine is CC/C=C/c1ncc(F)cn1.
What is the InChIKey of 2-[(E)-but-1-enyl]-5-fluoropyrimidine?
The InChIKey is GXHZYPRNIWNSNJ-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H9FN2/c1-2-3-4-8-10-5-7(9)6-11-8/h3-6H,2H2,1H3/b4-3+.
What are the key properties of 2-[(E)-but-1-enyl]-5-fluoropyrimidine?
2-[(E)-but-1-enyl]-5-fluoropyrimidine has a molecular weight of 152.17 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-1-enyl]-5-fluoropyrimidine is sourced from PubChem (CID 134542755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).