2-(2-fluoro-4-octylphenyl)pyrimidine

C18H23FN2 — CID 57127458

IUPAC2-(2-fluoro-4-octylphenyl)pyrimidine
SMILESCCCCCCCCc1ccc(-c2ncccn2)c(F)c1
InChIInChI=1S/C18H23FN2/c1-2-3-4-5-6-7-9-15-10-11-16(17(19)14-15)18-20-12-8-13-21-18/h8,10-14H,2-7,9H2,1H3
InChIKeyQROPDHKJIMPDKG-UHFFFAOYSA-N
MW286.39 g/mol
LogP5.19
Rot. Bonds8

About 2-(2-fluoro-4-octylphenyl)pyrimidine

2-(2-fluoro-4-octylphenyl)pyrimidine (PubChem CID 57127458) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is 2-(2-fluoro-4-octylphenyl)pyrimidine.

Molecular Properties

Compound Name2-(2-fluoro-4-octylphenyl)pyrimidine
PubChem CID57127458
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC Name2-(2-fluoro-4-octylphenyl)pyrimidine
SMILESCCCCCCCCc1ccc(-c2ncccn2)c(F)c1
InChIInChI=1S/C18H23FN2/c1-2-3-4-5-6-7-9-15-10-11-16(17(19)14-15)18-20-12-8-13-21-18/h8,10-14H,2-7,9H2,1H3
InChIKeyQROPDHKJIMPDKG-UHFFFAOYSA-N
XLogP5.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.39
LogP ≤ 55.19
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

2-[4-(2-fluoro-4-heptylphenyl)phenyl]-5-hexylpyrimidine
CID 21270896
2-fluoro-1-(4-heptylphenyl)-4-[2-(4-pentylphenyl)ethyl]benzene
CID 19906944
2-[4-(4-butyl-2-fluorophenyl)phenyl]-5-heptylpyrimidine
CID 21270877
2-fluoro-5-(2-fluoro-4-heptylphenyl)pyridine
CID 19765344
2-[2-fluoro-4-(6-fluoroheptyl)phenyl]-5-nonoxypyrimidine
CID 21197147
2-[4-(2-fluoro-4-pentylphenyl)phenyl]-5-heptylpyridine
CID 19859898
2-(2-fluoro-4-octylphenyl)-5-(4-hexylphenyl)pyridine
CID 19859819
2-(2-fluoro-4-heptylphenyl)-5-(4-octylphenyl)pyridine
CID 19859811
4-butyl-2-fluoro-1-[4-[2-(4-pentylphenyl)ethyl]phenyl]benzene
CID 19906913
2,3-difluoro-1-(2-fluoro-4-nonylphenyl)-4-(4-nonylphenyl)benzene
CID 10768709
2-[4-(4-hexylphenyl)phenyl]pyrimidine
CID 57180081
2-(2-fluoro-4-octoxyphenyl)-4-(3-octylphenyl)pyrimidine
CID 70385606

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-octylphenyl)pyrimidine?
The IUPAC name of 2-(2-fluoro-4-octylphenyl)pyrimidine (CID 57127458) is 2-(2-fluoro-4-octylphenyl)pyrimidine.
What is the SMILES notation for 2-(2-fluoro-4-octylphenyl)pyrimidine?
The canonical SMILES for 2-(2-fluoro-4-octylphenyl)pyrimidine is CCCCCCCCc1ccc(-c2ncccn2)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-octylphenyl)pyrimidine?
The InChIKey is QROPDHKJIMPDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-2-3-4-5-6-7-9-15-10-11-16(17(19)14-15)18-20-12-8-13-21-18/h8,10-14H,2-7,9H2,1H3.
What are the key properties of 2-(2-fluoro-4-octylphenyl)pyrimidine?
2-(2-fluoro-4-octylphenyl)pyrimidine has a molecular weight of 286.39 g/mol, XLogP of 5.19, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-octylphenyl)pyrimidine is sourced from PubChem (CID 57127458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).