5-[fluoro-(4-fluorophenyl)-(furan-2-yl)methyl]pyrimidine

C15H10F2N2O — CID 54491749

IUPAC5-[fluoro-(4-fluorophenyl)-(furan-2-yl)methyl]pyrimidine
SMILESFc1ccc(C(F)(c2cncnc2)c2ccco2)cc1
InChIInChI=1S/C15H10F2N2O/c16-13-5-3-11(4-6-13)15(17,14-2-1-7-20-14)12-8-18-10-19-9-12/h1-10H
InChIKeyXWFLXARPGZZSBI-UHFFFAOYSA-N
MW272.25 g/mol
LogP3.47
Rot. Bonds3

About 5-[fluoro-(4-fluorophenyl)-(furan-2-yl)methyl]pyrimidine

5-[fluoro-(4-fluorophenyl)-(furan-2-yl)methyl]pyrimidine (PubChem CID 54491749) has the molecular formula C15H10F2N2O and a molecular weight of 272.25 g/mol. Its IUPAC name is 5-[fluoro-(4-fluorophenyl)-(furan-2-yl)methyl]pyrimidine.

Molecular Properties

Compound Name5-[fluoro-(4-fluorophenyl)-(furan-2-yl)methyl]pyrimidine
PubChem CID54491749
Molecular FormulaC15H10F2N2O
Molecular Weight272.25 g/mol
Exact Mass272.08
IUPAC Name5-[fluoro-(4-fluorophenyl)-(furan-2-yl)methyl]pyrimidine
SMILESFc1ccc(C(F)(c2cncnc2)c2ccco2)cc1
InChIInChI=1S/C15H10F2N2O/c16-13-5-3-11(4-6-13)15(17,14-2-1-7-20-14)12-8-18-10-19-9-12/h1-10H
InChIKeyXWFLXARPGZZSBI-UHFFFAOYSA-N
XLogP3.47
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[fluoro-(4-fluorophenyl)-(furan-2-yl)methyl]pyrimidine?
The IUPAC name of 5-[fluoro-(4-fluorophenyl)-(furan-2-yl)methyl]pyrimidine (CID 54491749) is 5-[fluoro-(4-fluorophenyl)-(furan-2-yl)methyl]pyrimidine.
What is the SMILES notation for 5-[fluoro-(4-fluorophenyl)-(furan-2-yl)methyl]pyrimidine?
The canonical SMILES for 5-[fluoro-(4-fluorophenyl)-(furan-2-yl)methyl]pyrimidine is Fc1ccc(C(F)(c2cncnc2)c2ccco2)cc1.
What is the InChIKey of 5-[fluoro-(4-fluorophenyl)-(furan-2-yl)methyl]pyrimidine?
The InChIKey is XWFLXARPGZZSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O/c16-13-5-3-11(4-6-13)15(17,14-2-1-7-20-14)12-8-18-10-19-9-12/h1-10H.
What are the key properties of 5-[fluoro-(4-fluorophenyl)-(furan-2-yl)methyl]pyrimidine?
5-[fluoro-(4-fluorophenyl)-(furan-2-yl)methyl]pyrimidine has a molecular weight of 272.25 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[fluoro-(4-fluorophenyl)-(furan-2-yl)methyl]pyrimidine is sourced from PubChem (CID 54491749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).