1-(4-fluorononan-2-yl)-4-(4-pentylphenyl)benzene

C26H37F — CID 173386186

IUPAC1-(4-fluorononan-2-yl)-4-(4-pentylphenyl)benzene
SMILESCCCCCc1ccc(-c2ccc(C(C)CC(F)CCCCC)cc2)cc1
InChIInChI=1S/C26H37F/c1-4-6-8-10-22-12-14-24(15-13-22)25-18-16-23(17-19-25)21(3)20-26(27)11-9-7-5-2/h12-19,21,26H,4-11,20H2,1-3H3
InChIKeyAAEABPHXOWOQQR-UHFFFAOYSA-N
MW368.58 g/mol
LogP8.50
Rot. Bonds12

About 1-(4-fluorononan-2-yl)-4-(4-pentylphenyl)benzene

1-(4-fluorononan-2-yl)-4-(4-pentylphenyl)benzene (PubChem CID 173386186) has the molecular formula C26H37F and a molecular weight of 368.58 g/mol. Its IUPAC name is 1-(4-fluorononan-2-yl)-4-(4-pentylphenyl)benzene.

Molecular Properties

Compound Name1-(4-fluorononan-2-yl)-4-(4-pentylphenyl)benzene
PubChem CID173386186
Molecular FormulaC26H37F
Molecular Weight368.58 g/mol
Exact Mass368.29
IUPAC Name1-(4-fluorononan-2-yl)-4-(4-pentylphenyl)benzene
SMILESCCCCCc1ccc(-c2ccc(C(C)CC(F)CCCCC)cc2)cc1
InChIInChI=1S/C26H37F/c1-4-6-8-10-22-12-14-24(15-13-22)25-18-16-23(17-19-25)21(3)20-26(27)11-9-7-5-2/h12-19,21,26H,4-11,20H2,1-3H3
InChIKeyAAEABPHXOWOQQR-UHFFFAOYSA-N
XLogP8.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.58
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorononan-2-yl)-4-(4-propylphenyl)benzene
CID 173386204
1-heptyl-4-(4-propan-2-ylphenyl)benzene
CID 58842076
1-[4-(4-pentylphenyl)phenyl]ethanol
CID 14297725
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
4-octan-2-ylphenol;4-octylphenol
CID 157081049
1-butyl-4-[(2R)-4-(4-ethylphenyl)pentan-2-yl]benzene
CID 176687461
1-hexadecyl-4-[1-(4-hexadecylphenyl)hexadecyl]benzene
CID 21436596
1-(6-methylheptyl)-4-pentylbenzene
CID 158425503
1-(8-methylnonyl)-4-pentylbenzene
CID 158864216
1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene
CID 19906985
1-[4-(4-hexylphenyl)phenyl]propan-1-ol
CID 19979106
1-butyl-4-propan-2-ylbenzene;hexane
CID 142937575

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorononan-2-yl)-4-(4-pentylphenyl)benzene?
The IUPAC name of 1-(4-fluorononan-2-yl)-4-(4-pentylphenyl)benzene (CID 173386186) is 1-(4-fluorononan-2-yl)-4-(4-pentylphenyl)benzene.
What is the SMILES notation for 1-(4-fluorononan-2-yl)-4-(4-pentylphenyl)benzene?
The canonical SMILES for 1-(4-fluorononan-2-yl)-4-(4-pentylphenyl)benzene is CCCCCc1ccc(-c2ccc(C(C)CC(F)CCCCC)cc2)cc1.
What is the InChIKey of 1-(4-fluorononan-2-yl)-4-(4-pentylphenyl)benzene?
The InChIKey is AAEABPHXOWOQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37F/c1-4-6-8-10-22-12-14-24(15-13-22)25-18-16-23(17-19-25)21(3)20-26(27)11-9-7-5-2/h12-19,21,26H,4-11,20H2,1-3H3.
What are the key properties of 1-(4-fluorononan-2-yl)-4-(4-pentylphenyl)benzene?
1-(4-fluorononan-2-yl)-4-(4-pentylphenyl)benzene has a molecular weight of 368.58 g/mol, XLogP of 8.50, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorononan-2-yl)-4-(4-pentylphenyl)benzene is sourced from PubChem (CID 173386186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).