2-[4-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)phenyl]-2,3-difluorophenyl]-5-methylpyrimidine

C26H18F4N2O — CID 143773181

IUPAC2-[4-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)phenyl]-2,3-difluorophenyl]-5-methylpyrimidine
SMILESC=CCOc1ccc(-c2ccc(-c3ccc(-c4ncc(C)cn4)c(F)c3F)cc2)c(F)c1F
InChIInChI=1S/C26H18F4N2O/c1-3-12-33-21-11-10-19(23(28)25(21)30)17-6-4-16(5-7-17)18-8-9-20(24(29)22(18)27)26-31-13-15(2)14-32-26/h3-11,13-14H,1,12H2,2H3
InChIKeyFFRWSKJIERAENN-UHFFFAOYSA-N
MW450.44 g/mol
LogP6.91
Rot. Bonds6

About 2-[4-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)phenyl]-2,3-difluorophenyl]-5-methylpyrimidine

2-[4-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)phenyl]-2,3-difluorophenyl]-5-methylpyrimidine (PubChem CID 143773181) has the molecular formula C26H18F4N2O and a molecular weight of 450.44 g/mol. Its IUPAC name is 2-[4-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)phenyl]-2,3-difluorophenyl]-5-methylpyrimidine.

Molecular Properties

Compound Name2-[4-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)phenyl]-2,3-difluorophenyl]-5-methylpyrimidine
PubChem CID143773181
Molecular FormulaC26H18F4N2O
Molecular Weight450.44 g/mol
Exact Mass450.14
IUPAC Name2-[4-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)phenyl]-2,3-difluorophenyl]-5-methylpyrimidine
SMILESC=CCOc1ccc(-c2ccc(-c3ccc(-c4ncc(C)cn4)c(F)c3F)cc2)c(F)c1F
InChIInChI=1S/C26H18F4N2O/c1-3-12-33-21-11-10-19(23(28)25(21)30)17-6-4-16(5-7-17)18-8-9-20(24(29)22(18)27)26-31-13-15(2)14-32-26/h3-11,13-14H,1,12H2,2H3
InChIKeyFFRWSKJIERAENN-UHFFFAOYSA-N
XLogP6.91
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.44
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[4-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)phenyl]-2,3-difluorophenyl]-5-propylpyrimidine
CID 67732794
1-(2,3-difluoro-4-methoxyphenyl)-2,3-difluoro-4-prop-2-enoxybenzene
CID 118191628
1-(4-cyclohexylphenyl)-2,3-difluoro-4-prop-2-enoxybenzene
CID 134359475
1-[2-(2,3-difluoro-4-prop-2-enoxyphenyl)ethynyl]-2,3-difluoro-4-(4-propylphenyl)benzene
CID 141431831
2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-propoxybenzene
CID 145339830
1-[4-(4-ethylcyclohexyl)phenyl]-2,3-difluoro-4-prop-2-enoxybenzene
CID 134358599
2-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)phenyl]-5-(6-pentoxyhept-1-enyl)pyrimidine
CID 70263076
1-[4-[2-[4-(4-but-3-enylphenyl)phenyl]ethyl]phenyl]-4-ethoxy-2,3-difluorobenzene
CID 154607362
5-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]-2-prop-2-enylpyrimidine
CID 20621804
1-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-2,3-difluoro-4-prop-2-enoxybenzene
CID 102290250
5-[(2Z,4E)-6-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)phenyl]-5-fluorohepta-2,4,6-trien-3-yl]-2-ethenyl-1,3-dioxane
CID 89045928
CID 59875928
CID 59875928

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)phenyl]-2,3-difluorophenyl]-5-methylpyrimidine?
The IUPAC name of 2-[4-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)phenyl]-2,3-difluorophenyl]-5-methylpyrimidine (CID 143773181) is 2-[4-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)phenyl]-2,3-difluorophenyl]-5-methylpyrimidine.
What is the SMILES notation for 2-[4-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)phenyl]-2,3-difluorophenyl]-5-methylpyrimidine?
The canonical SMILES for 2-[4-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)phenyl]-2,3-difluorophenyl]-5-methylpyrimidine is C=CCOc1ccc(-c2ccc(-c3ccc(-c4ncc(C)cn4)c(F)c3F)cc2)c(F)c1F.
What is the InChIKey of 2-[4-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)phenyl]-2,3-difluorophenyl]-5-methylpyrimidine?
The InChIKey is FFRWSKJIERAENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F4N2O/c1-3-12-33-21-11-10-19(23(28)25(21)30)17-6-4-16(5-7-17)18-8-9-20(24(29)22(18)27)26-31-13-15(2)14-32-26/h3-11,13-14H,1,12H2,2H3.
What are the key properties of 2-[4-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)phenyl]-2,3-difluorophenyl]-5-methylpyrimidine?
2-[4-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)phenyl]-2,3-difluorophenyl]-5-methylpyrimidine has a molecular weight of 450.44 g/mol, XLogP of 6.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)phenyl]-2,3-difluorophenyl]-5-methylpyrimidine is sourced from PubChem (CID 143773181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).