2-fluoro-4-(4-heptylphenyl)-1-pentylbenzene

C24H33F — CID 67842495

IUPAC2-fluoro-4-(4-heptylphenyl)-1-pentylbenzene
SMILESCCCCCCCc1ccc(-c2ccc(CCCCC)c(F)c2)cc1
InChIInChI=1S/C24H33F/c1-3-5-7-8-10-11-20-13-15-21(16-14-20)23-18-17-22(24(25)19-23)12-9-6-4-2/h13-19H,3-12H2,1-2H3
InChIKeyHTVCZUUBMNYART-UHFFFAOYSA-N
MW340.53 g/mol
LogP7.74
Rot. Bonds11

About 2-fluoro-4-(4-heptylphenyl)-1-pentylbenzene

2-fluoro-4-(4-heptylphenyl)-1-pentylbenzene (PubChem CID 67842495) has the molecular formula C24H33F and a molecular weight of 340.53 g/mol. Its IUPAC name is 2-fluoro-4-(4-heptylphenyl)-1-pentylbenzene.

Molecular Properties

Compound Name2-fluoro-4-(4-heptylphenyl)-1-pentylbenzene
PubChem CID67842495
Molecular FormulaC24H33F
Molecular Weight340.53 g/mol
Exact Mass340.26
IUPAC Name2-fluoro-4-(4-heptylphenyl)-1-pentylbenzene
SMILESCCCCCCCc1ccc(-c2ccc(CCCCC)c(F)c2)cc1
InChIInChI=1S/C24H33F/c1-3-5-7-8-10-11-20-13-15-21(16-14-20)23-18-17-22(24(25)19-23)12-9-6-4-2/h13-19H,3-12H2,1-2H3
InChIKeyHTVCZUUBMNYART-UHFFFAOYSA-N
XLogP7.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.53
LogP ≤ 57.74
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

2-fluoro-1-pentyl-4-(4-propylphenyl)benzene
CID 67842368
2-fluoro-4-(4-heptylphenyl)-1-[2-(4-propylphenyl)ethyl]benzene
CID 19906984
2-(3-fluoro-4-pentylphenyl)-5-(4-heptylphenyl)pyrimidine
CID 21270905
5-[4-[7-[4-(3,5-difluoro-4-pentylphenyl)phenyl]heptyl]phenyl]-1,3-difluoro-2-pentylbenzene
CID 121343129
2-chloro-1-heptyl-4-(4-pentylphenyl)benzene
CID 67842492
2-(3-fluoro-4-heptylphenyl)-5-octylpyrimidine
CID 21270948
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
2-fluoro-1-hexyl-4-[2-[4-[2-(4-pentylphenyl)ethynyl]phenyl]ethynyl]benzene
CID 22112264
2-methyl-1-pentyl-4-[4-(4-pentylphenyl)phenyl]benzene
CID 173354909
2-(4-butyl-3-fluorophenyl)-5-hexylpyrimidine
CID 21270967
5-(3-fluoro-4-heptylphenyl)-2-heptylpyrimidine
CID 19008446
2-fluoro-1-hexoxy-4-[4-(4-pentylphenyl)phenyl]benzene
CID 101490841

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(4-heptylphenyl)-1-pentylbenzene?
The IUPAC name of 2-fluoro-4-(4-heptylphenyl)-1-pentylbenzene (CID 67842495) is 2-fluoro-4-(4-heptylphenyl)-1-pentylbenzene.
What is the SMILES notation for 2-fluoro-4-(4-heptylphenyl)-1-pentylbenzene?
The canonical SMILES for 2-fluoro-4-(4-heptylphenyl)-1-pentylbenzene is CCCCCCCc1ccc(-c2ccc(CCCCC)c(F)c2)cc1.
What is the InChIKey of 2-fluoro-4-(4-heptylphenyl)-1-pentylbenzene?
The InChIKey is HTVCZUUBMNYART-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33F/c1-3-5-7-8-10-11-20-13-15-21(16-14-20)23-18-17-22(24(25)19-23)12-9-6-4-2/h13-19H,3-12H2,1-2H3.
What are the key properties of 2-fluoro-4-(4-heptylphenyl)-1-pentylbenzene?
2-fluoro-4-(4-heptylphenyl)-1-pentylbenzene has a molecular weight of 340.53 g/mol, XLogP of 7.74, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(4-heptylphenyl)-1-pentylbenzene is sourced from PubChem (CID 67842495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).