4-(2-fluorophenyl)-6-hexylquinoline

C21H22FN — CID 175902162

IUPAC4-(2-fluorophenyl)-6-hexylquinoline
SMILESCCCCCCc1ccc2nccc(-c3ccccc3F)c2c1
InChIInChI=1S/C21H22FN/c1-2-3-4-5-8-16-11-12-21-19(15-16)17(13-14-23-21)18-9-6-7-10-20(18)22/h6-7,9-15H,2-5,8H2,1H3
InChIKeyYNMRKFSVHRVEEL-UHFFFAOYSA-N
MW307.41 g/mol
LogP6.16
Rot. Bonds6

About 4-(2-fluorophenyl)-6-hexylquinoline

4-(2-fluorophenyl)-6-hexylquinoline (PubChem CID 175902162) has the molecular formula C21H22FN and a molecular weight of 307.41 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-6-hexylquinoline.

Molecular Properties

Compound Name4-(2-fluorophenyl)-6-hexylquinoline
PubChem CID175902162
Molecular FormulaC21H22FN
Molecular Weight307.41 g/mol
Exact Mass307.17
IUPAC Name4-(2-fluorophenyl)-6-hexylquinoline
SMILESCCCCCCc1ccc2nccc(-c3ccccc3F)c2c1
InChIInChI=1S/C21H22FN/c1-2-3-4-5-8-16-11-12-21-19(15-16)17(13-14-23-21)18-9-6-7-10-20(18)22/h6-7,9-15H,2-5,8H2,1H3
InChIKeyYNMRKFSVHRVEEL-UHFFFAOYSA-N
XLogP6.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.41
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-hexyl-4-pyridin-4-ylquinoline
CID 175901986
2-(2-fluoro-4-octylphenyl)pyrimidine
CID 57127458
6-hexyl-4-pyridin-4-yloxyquinoline
CID 175902136
2-(4-decyl-2-pyridinyl)-4-octylpyridine
CID 102418537
4-dodecyl-2-(4-dodecyl-2-pyridinyl)pyridine
CID 11283283
4-nonadecyl-2-(4-nonadecyl-2-pyridinyl)pyridine
CID 12503697
4-tridecyl-2-(4-tridecyl-2-pyridinyl)pyridine
CID 15313372
1,2-difluoro-4-(2-fluorophenyl)-3-(4-octylphenyl)benzene
CID 54490547
cobalt;tris(4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine)
CID 140844101
4-hexyl-2-(4-hexyl-2-pyridinyl)pyridine;ruthenium
CID 159580616
4-hexyl-2-(2-hydroxyphenyl)phenol
CID 139699928
2-chloro-4-hexadecylpyridine
CID 170566187

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-6-hexylquinoline?
The IUPAC name of 4-(2-fluorophenyl)-6-hexylquinoline (CID 175902162) is 4-(2-fluorophenyl)-6-hexylquinoline.
What is the SMILES notation for 4-(2-fluorophenyl)-6-hexylquinoline?
The canonical SMILES for 4-(2-fluorophenyl)-6-hexylquinoline is CCCCCCc1ccc2nccc(-c3ccccc3F)c2c1.
What is the InChIKey of 4-(2-fluorophenyl)-6-hexylquinoline?
The InChIKey is YNMRKFSVHRVEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN/c1-2-3-4-5-8-16-11-12-21-19(15-16)17(13-14-23-21)18-9-6-7-10-20(18)22/h6-7,9-15H,2-5,8H2,1H3.
What are the key properties of 4-(2-fluorophenyl)-6-hexylquinoline?
4-(2-fluorophenyl)-6-hexylquinoline has a molecular weight of 307.41 g/mol, XLogP of 6.16, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-6-hexylquinoline is sourced from PubChem (CID 175902162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).