fluoro 2-pyrimidin-4-ylbutanoate

C8H9FN2O2 — CID 174843549

IUPACfluoro 2-pyrimidin-4-ylbutanoate
SMILESCCC(C(=O)OF)c1ccncn1
InChIInChI=1S/C8H9FN2O2/c1-2-6(8(12)13-9)7-3-4-10-5-11-7/h3-6H,2H2,1H3
InChIKeyAHOSYVQHQYEFSQ-UHFFFAOYSA-N
MW184.17 g/mol
LogP1.40
Rot. Bonds3

About fluoro 2-pyrimidin-4-ylbutanoate

fluoro 2-pyrimidin-4-ylbutanoate (PubChem CID 174843549) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is fluoro 2-pyrimidin-4-ylbutanoate.

Molecular Properties

Compound Namefluoro 2-pyrimidin-4-ylbutanoate
PubChem CID174843549
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Namefluoro 2-pyrimidin-4-ylbutanoate
SMILESCCC(C(=O)OF)c1ccncn1
InChIInChI=1S/C8H9FN2O2/c1-2-6(8(12)13-9)7-3-4-10-5-11-7/h3-6H,2H2,1H3
InChIKeyAHOSYVQHQYEFSQ-UHFFFAOYSA-N
XLogP1.40
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of fluoro 2-pyrimidin-4-ylbutanoate?
The IUPAC name of fluoro 2-pyrimidin-4-ylbutanoate (CID 174843549) is fluoro 2-pyrimidin-4-ylbutanoate.
What is the SMILES notation for fluoro 2-pyrimidin-4-ylbutanoate?
The canonical SMILES for fluoro 2-pyrimidin-4-ylbutanoate is CCC(C(=O)OF)c1ccncn1.
What is the InChIKey of fluoro 2-pyrimidin-4-ylbutanoate?
The InChIKey is AHOSYVQHQYEFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2/c1-2-6(8(12)13-9)7-3-4-10-5-11-7/h3-6H,2H2,1H3.
What are the key properties of fluoro 2-pyrimidin-4-ylbutanoate?
fluoro 2-pyrimidin-4-ylbutanoate has a molecular weight of 184.17 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-pyrimidin-4-ylbutanoate is sourced from PubChem (CID 174843549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).