[2-(2,4-difluorophenyl)oxiran-2-yl]-(5-fluoropyrimidin-4-yl)methanone

C13H7F3N2O2 — CID 102229686

IUPAC[2-(2,4-difluorophenyl)oxiran-2-yl]-(5-fluoropyrimidin-4-yl)methanone
SMILESO=C(c1ncncc1F)C1(c2ccc(F)cc2F)CO1
InChIInChI=1S/C13H7F3N2O2/c14-7-1-2-8(9(15)3-7)13(5-20-13)12(19)11-10(16)4-17-6-18-11/h1-4,6H,5H2
InChIKeyPHZHUFCLRASGIJ-UHFFFAOYSA-N
MW280.20 g/mol
LogP2.00
Rot. Bonds3

About [2-(2,4-difluorophenyl)oxiran-2-yl]-(5-fluoropyrimidin-4-yl)methanone

[2-(2,4-difluorophenyl)oxiran-2-yl]-(5-fluoropyrimidin-4-yl)methanone (PubChem CID 102229686) has the molecular formula C13H7F3N2O2 and a molecular weight of 280.20 g/mol. Its IUPAC name is [2-(2,4-difluorophenyl)oxiran-2-yl]-(5-fluoropyrimidin-4-yl)methanone.

Molecular Properties

Compound Name[2-(2,4-difluorophenyl)oxiran-2-yl]-(5-fluoropyrimidin-4-yl)methanone
PubChem CID102229686
Molecular FormulaC13H7F3N2O2
Molecular Weight280.20 g/mol
Exact Mass280.05
IUPAC Name[2-(2,4-difluorophenyl)oxiran-2-yl]-(5-fluoropyrimidin-4-yl)methanone
SMILESO=C(c1ncncc1F)C1(c2ccc(F)cc2F)CO1
InChIInChI=1S/C13H7F3N2O2/c14-7-1-2-8(9(15)3-7)13(5-20-13)12(19)11-10(16)4-17-6-18-11/h1-4,6H,5H2
InChIKeyPHZHUFCLRASGIJ-UHFFFAOYSA-N
XLogP2.00
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.20
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(2,4-difluorophenyl)oxiran-2-yl]-(5-fluoropyrimidin-4-yl)methanone?
The IUPAC name of [2-(2,4-difluorophenyl)oxiran-2-yl]-(5-fluoropyrimidin-4-yl)methanone (CID 102229686) is [2-(2,4-difluorophenyl)oxiran-2-yl]-(5-fluoropyrimidin-4-yl)methanone.
What is the SMILES notation for [2-(2,4-difluorophenyl)oxiran-2-yl]-(5-fluoropyrimidin-4-yl)methanone?
The canonical SMILES for [2-(2,4-difluorophenyl)oxiran-2-yl]-(5-fluoropyrimidin-4-yl)methanone is O=C(c1ncncc1F)C1(c2ccc(F)cc2F)CO1.
What is the InChIKey of [2-(2,4-difluorophenyl)oxiran-2-yl]-(5-fluoropyrimidin-4-yl)methanone?
The InChIKey is PHZHUFCLRASGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N2O2/c14-7-1-2-8(9(15)3-7)13(5-20-13)12(19)11-10(16)4-17-6-18-11/h1-4,6H,5H2.
What are the key properties of [2-(2,4-difluorophenyl)oxiran-2-yl]-(5-fluoropyrimidin-4-yl)methanone?
[2-(2,4-difluorophenyl)oxiran-2-yl]-(5-fluoropyrimidin-4-yl)methanone has a molecular weight of 280.20 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-difluorophenyl)oxiran-2-yl]-(5-fluoropyrimidin-4-yl)methanone is sourced from PubChem (CID 102229686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).