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

C15H9F3N2O — CID 54110271

IUPAC5-[(2,4-difluorophenyl)-fluoro-(furan-2-yl)methyl]pyrimidine
SMILESFc1ccc(C(F)(c2cncnc2)c2ccco2)c(F)c1
InChIInChI=1S/C15H9F3N2O/c16-11-3-4-12(13(17)6-11)15(18,14-2-1-5-21-14)10-7-19-9-20-8-10/h1-9H
InChIKeyNGOVOUSHQPQAMT-UHFFFAOYSA-N
MW290.24 g/mol
LogP3.61
Rot. Bonds3

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

5-[(2,4-difluorophenyl)-fluoro-(furan-2-yl)methyl]pyrimidine (PubChem CID 54110271) has the molecular formula C15H9F3N2O and a molecular weight of 290.24 g/mol. Its IUPAC name is 5-[(2,4-difluorophenyl)-fluoro-(furan-2-yl)methyl]pyrimidine.

Molecular Properties

Compound Name5-[(2,4-difluorophenyl)-fluoro-(furan-2-yl)methyl]pyrimidine
PubChem CID54110271
Molecular FormulaC15H9F3N2O
Molecular Weight290.24 g/mol
Exact Mass290.07
IUPAC Name5-[(2,4-difluorophenyl)-fluoro-(furan-2-yl)methyl]pyrimidine
SMILESFc1ccc(C(F)(c2cncnc2)c2ccco2)c(F)c1
InChIInChI=1S/C15H9F3N2O/c16-11-3-4-12(13(17)6-11)15(18,14-2-1-5-21-14)10-7-19-9-20-8-10/h1-9H
InChIKeyNGOVOUSHQPQAMT-UHFFFAOYSA-N
XLogP3.61
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-difluorophenyl)-fluoro-(furan-2-yl)methyl]pyrimidine?
The IUPAC name of 5-[(2,4-difluorophenyl)-fluoro-(furan-2-yl)methyl]pyrimidine (CID 54110271) is 5-[(2,4-difluorophenyl)-fluoro-(furan-2-yl)methyl]pyrimidine.
What is the SMILES notation for 5-[(2,4-difluorophenyl)-fluoro-(furan-2-yl)methyl]pyrimidine?
The canonical SMILES for 5-[(2,4-difluorophenyl)-fluoro-(furan-2-yl)methyl]pyrimidine is Fc1ccc(C(F)(c2cncnc2)c2ccco2)c(F)c1.
What is the InChIKey of 5-[(2,4-difluorophenyl)-fluoro-(furan-2-yl)methyl]pyrimidine?
The InChIKey is NGOVOUSHQPQAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O/c16-11-3-4-12(13(17)6-11)15(18,14-2-1-5-21-14)10-7-19-9-20-8-10/h1-9H.
What are the key properties of 5-[(2,4-difluorophenyl)-fluoro-(furan-2-yl)methyl]pyrimidine?
5-[(2,4-difluorophenyl)-fluoro-(furan-2-yl)methyl]pyrimidine has a molecular weight of 290.24 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-difluorophenyl)-fluoro-(furan-2-yl)methyl]pyrimidine is sourced from PubChem (CID 54110271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).