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

C13H7F3N2O2 — CID 72736660

IUPAC[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]-(5-fluoropyrimidin-4-yl)methanone
SMILESO=C(c1ncncc1F)[C@@]1(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/t13-/m0/s1
InChIKeyPHZHUFCLRASGIJ-ZDUSSCGKSA-N
MW280.20 g/mol
LogP2.00
Rot. Bonds3

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

[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]-(5-fluoropyrimidin-4-yl)methanone (PubChem CID 72736660) has the molecular formula C13H7F3N2O2 and a molecular weight of 280.20 g/mol. Its IUPAC name is [(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]-(5-fluoropyrimidin-4-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]-(5-fluoropyrimidin-4-yl)methanone
PubChem CID72736660
Molecular FormulaC13H7F3N2O2
Molecular Weight280.20 g/mol
Exact Mass280.05
IUPAC Name[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]-(5-fluoropyrimidin-4-yl)methanone
SMILESO=C(c1ncncc1F)[C@@]1(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/t13-/m0/s1
InChIKeyPHZHUFCLRASGIJ-ZDUSSCGKSA-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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Related Compounds

4-[1-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]ethenyl]-5-fluoropyrimidine
CID 72736661
4-[(1S)-1-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]-5-fluoropyrimidine
CID 72736662
5-Fluoro-4-[1-[2-(2-fluorophenyl)oxiran-2-yl]ethyl]pyrimidine
CID 88375975
4-[1-[2-(2,4-Difluorophenyl)oxiran-2-yl]ethyl]-5-fluoropyrimidine
CID 88901387
Ethyl 2-amino-5-(4-fluorophenyl)pyrimidine-4-carboxylate
CID 90344614
Ethyl 4-(2,5-difluorobenzoyl)pyrimidine-5-carboxylate
CID 10266312
[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]-[5-(1,2,4-triazol-1-yl)pyrimidin-4-yl]methanone
CID 72736667
[2-(2,4-Difluorophenyl)oxiran-2-yl]-(5-fluoropyrimidin-4-yl)methanone
CID 102229686
[2-(2,4-Difluorophenyl)oxiran-2-yl]-[5-(1,2,4-triazol-1-yl)pyrimidin-4-yl]methanone
CID 102229691
2-Methoxy-2-phenyl-1-pyrimidin-4-ylethanone
CID 70979027
Methyl 5-phenylpyrimidine-4-carboxylate
CID 121434618
2-(3,4-dihydro-1H-isochromen-1-yl)-1-pyrimidin-4-ylethanone
CID 64239927

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]-(5-fluoropyrimidin-4-yl)methanone?
The IUPAC name of [(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]-(5-fluoropyrimidin-4-yl)methanone (CID 72736660) is [(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]-(5-fluoropyrimidin-4-yl)methanone.
What is the SMILES notation for [(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]-(5-fluoropyrimidin-4-yl)methanone?
The canonical SMILES for [(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]-(5-fluoropyrimidin-4-yl)methanone is O=C(c1ncncc1F)[C@@]1(c2ccc(F)cc2F)CO1.
What is the InChIKey of [(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]-(5-fluoropyrimidin-4-yl)methanone?
The InChIKey is PHZHUFCLRASGIJ-ZDUSSCGKSA-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/t13-/m0/s1.
What are the key properties of [(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]-(5-fluoropyrimidin-4-yl)methanone?
[(2R)-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 [(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]-(5-fluoropyrimidin-4-yl)methanone is sourced from PubChem (CID 72736660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).