2-[2,3-difluoro-4-(6-fluoroheptyl)phenyl]-5-non-1-enylpyrimidine

C26H35F3N2 — CID 67627529

IUPAC2-[2,3-difluoro-4-(6-fluoroheptyl)phenyl]-5-non-1-enylpyrimidine
SMILESCCCCCCCC=Cc1cnc(-c2ccc(CCCCCC(C)F)c(F)c2F)nc1
InChIInChI=1S/C26H35F3N2/c1-3-4-5-6-7-8-11-14-21-18-30-26(31-19-21)23-17-16-22(24(28)25(23)29)15-12-9-10-13-20(2)27/h11,14,16-20H,3-10,12-13,15H2,1-2H3
InChIKeyZDYKHWMFIXFEFL-UHFFFAOYSA-N
MW432.57 g/mol
LogP8.26
Rot. Bonds14

About 2-[2,3-difluoro-4-(6-fluoroheptyl)phenyl]-5-non-1-enylpyrimidine

2-[2,3-difluoro-4-(6-fluoroheptyl)phenyl]-5-non-1-enylpyrimidine (PubChem CID 67627529) has the molecular formula C26H35F3N2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 2-[2,3-difluoro-4-(6-fluoroheptyl)phenyl]-5-non-1-enylpyrimidine.

Molecular Properties

Compound Name2-[2,3-difluoro-4-(6-fluoroheptyl)phenyl]-5-non-1-enylpyrimidine
PubChem CID67627529
Molecular FormulaC26H35F3N2
Molecular Weight432.57 g/mol
Exact Mass432.28
IUPAC Name2-[2,3-difluoro-4-(6-fluoroheptyl)phenyl]-5-non-1-enylpyrimidine
SMILESCCCCCCCC=Cc1cnc(-c2ccc(CCCCCC(C)F)c(F)c2F)nc1
InChIInChI=1S/C26H35F3N2/c1-3-4-5-6-7-8-11-14-21-18-30-26(31-19-21)23-17-16-22(24(28)25(23)29)15-12-9-10-13-20(2)27/h11,14,16-20H,3-10,12-13,15H2,1-2H3
InChIKeyZDYKHWMFIXFEFL-UHFFFAOYSA-N
XLogP8.26
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.57
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-[2,3-difluoro-4-(5-non-1-enylpyrimidin-2-yl)phenyl]heptan-2-ol
CID 67627691
2-(4-decyl-2,3-difluorophenyl)-5-(5-fluorohexyl)pyrimidine
CID 21197036
2-[2,3-difluoro-4-(6-fluoroheptyl)phenyl]-5-octoxypyrimidine
CID 21197146
2-(2,3-difluoro-4-pentylphenyl)-5-(2-fluorooctoxy)pyrimidine
CID 54370938
2-(4-dec-1-enyl-2,3-difluorophenyl)-5-nonylpyrimidine
CID 70114963
2-(4-decoxy-2,3-difluorophenyl)-5-[(E)-non-1-enyl]pyrimidine
CID 21197075
2-(4-decoxy-2,3-difluorophenyl)-5-non-1-enylpyrimidine
CID 54375620
2-(2,3-difluoro-4-nonoxyphenyl)-5-non-1-enylpyrimidine
CID 54017457
1-butyl-2,3-difluoro-4-[4-[(E)-8-fluorooct-1-enyl]phenyl]benzene
CID 118316515
2-[4-(4-butyl-2,3-difluorophenyl)phenyl]-5-heptylpyrimidine
CID 19103459
2-(4-decyl-3-fluorophenyl)-5-(6-fluoroheptyl)pyrimidine
CID 22370325
5-decyl-2-[3-fluoro-4-(5-fluorohexyl)phenyl]pyrimidine
CID 21197056

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-difluoro-4-(6-fluoroheptyl)phenyl]-5-non-1-enylpyrimidine?
The IUPAC name of 2-[2,3-difluoro-4-(6-fluoroheptyl)phenyl]-5-non-1-enylpyrimidine (CID 67627529) is 2-[2,3-difluoro-4-(6-fluoroheptyl)phenyl]-5-non-1-enylpyrimidine.
What is the SMILES notation for 2-[2,3-difluoro-4-(6-fluoroheptyl)phenyl]-5-non-1-enylpyrimidine?
The canonical SMILES for 2-[2,3-difluoro-4-(6-fluoroheptyl)phenyl]-5-non-1-enylpyrimidine is CCCCCCCC=Cc1cnc(-c2ccc(CCCCCC(C)F)c(F)c2F)nc1.
What is the InChIKey of 2-[2,3-difluoro-4-(6-fluoroheptyl)phenyl]-5-non-1-enylpyrimidine?
The InChIKey is ZDYKHWMFIXFEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35F3N2/c1-3-4-5-6-7-8-11-14-21-18-30-26(31-19-21)23-17-16-22(24(28)25(23)29)15-12-9-10-13-20(2)27/h11,14,16-20H,3-10,12-13,15H2,1-2H3.
What are the key properties of 2-[2,3-difluoro-4-(6-fluoroheptyl)phenyl]-5-non-1-enylpyrimidine?
2-[2,3-difluoro-4-(6-fluoroheptyl)phenyl]-5-non-1-enylpyrimidine has a molecular weight of 432.57 g/mol, XLogP of 8.26, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-difluoro-4-(6-fluoroheptyl)phenyl]-5-non-1-enylpyrimidine is sourced from PubChem (CID 67627529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).