1,4-difluoro-2-[4-fluoro-2-(4-hex-5-enylphenyl)phenyl]benzene

C24H21F3 — CID 56619637

IUPAC1,4-difluoro-2-[4-fluoro-2-(4-hex-5-enylphenyl)phenyl]benzene
SMILESC=CCCCCc1ccc(-c2cc(F)ccc2-c2cc(F)ccc2F)cc1
InChIInChI=1S/C24H21F3/c1-2-3-4-5-6-17-7-9-18(10-8-17)22-15-19(25)11-13-21(22)23-16-20(26)12-14-24(23)27/h2,7-16H,1,3-6H2
InChIKeyZGTKNFYDIVLXJZ-UHFFFAOYSA-N
MW366.43 g/mol
LogP7.34
Rot. Bonds7

About 1,4-difluoro-2-[4-fluoro-2-(4-hex-5-enylphenyl)phenyl]benzene

1,4-difluoro-2-[4-fluoro-2-(4-hex-5-enylphenyl)phenyl]benzene (PubChem CID 56619637) has the molecular formula C24H21F3 and a molecular weight of 366.43 g/mol. Its IUPAC name is 1,4-difluoro-2-[4-fluoro-2-(4-hex-5-enylphenyl)phenyl]benzene.

Molecular Properties

Compound Name1,4-difluoro-2-[4-fluoro-2-(4-hex-5-enylphenyl)phenyl]benzene
PubChem CID56619637
Molecular FormulaC24H21F3
Molecular Weight366.43 g/mol
Exact Mass366.16
IUPAC Name1,4-difluoro-2-[4-fluoro-2-(4-hex-5-enylphenyl)phenyl]benzene
SMILESC=CCCCCc1ccc(-c2cc(F)ccc2-c2cc(F)ccc2F)cc1
InChIInChI=1S/C24H21F3/c1-2-3-4-5-6-17-7-9-18(10-8-17)22-15-19(25)11-13-21(22)23-16-20(26)12-14-24(23)27/h2,7-16H,1,3-6H2
InChIKeyZGTKNFYDIVLXJZ-UHFFFAOYSA-N
XLogP7.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.43
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-4-non-8-enylbenzene
CID 57222789
2-(4-butylphenyl)-4-fluoro-1-(2-fluorophenyl)benzene
CID 67866294
1-hex-5-enyl-4-(4-methylphenyl)benzene
CID 59812350
1-hex-5-enyl-4-phenylbenzene
CID 59235470
1-but-3-enyl-4-(4-fluorophenyl)benzene
CID 59812328
N-[[4-(4-butylphenyl)-3-fluorophenyl]methylideneamino]-1-(4-hept-6-enylphenyl)methanimine
CID 54176611
2,4-difluoro-1-(4-octylphenyl)benzene
CID 56633566
2,4-difluoro-1-[4-(3-iodopropyl)phenyl]benzene
CID 25223670
2,4-difluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]benzene
CID 165362771
1,3-difluoro-5-[2-(4-hex-5-enylphenyl)ethynyl]-2-(3,4,5-trifluorophenyl)benzene
CID 139799022
1-(4-fluorophenyl)-4-[9-[4-(4-fluorophenyl)phenyl]nonyl]-2-methylbenzene
CID 155259476
4-(4-but-3-enylphenyl)-2-fluoro-1-(4-propylphenyl)benzene
CID 118136047

Frequently Asked Questions

What is the IUPAC name of 1,4-difluoro-2-[4-fluoro-2-(4-hex-5-enylphenyl)phenyl]benzene?
The IUPAC name of 1,4-difluoro-2-[4-fluoro-2-(4-hex-5-enylphenyl)phenyl]benzene (CID 56619637) is 1,4-difluoro-2-[4-fluoro-2-(4-hex-5-enylphenyl)phenyl]benzene.
What is the SMILES notation for 1,4-difluoro-2-[4-fluoro-2-(4-hex-5-enylphenyl)phenyl]benzene?
The canonical SMILES for 1,4-difluoro-2-[4-fluoro-2-(4-hex-5-enylphenyl)phenyl]benzene is C=CCCCCc1ccc(-c2cc(F)ccc2-c2cc(F)ccc2F)cc1.
What is the InChIKey of 1,4-difluoro-2-[4-fluoro-2-(4-hex-5-enylphenyl)phenyl]benzene?
The InChIKey is ZGTKNFYDIVLXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3/c1-2-3-4-5-6-17-7-9-18(10-8-17)22-15-19(25)11-13-21(22)23-16-20(26)12-14-24(23)27/h2,7-16H,1,3-6H2.
What are the key properties of 1,4-difluoro-2-[4-fluoro-2-(4-hex-5-enylphenyl)phenyl]benzene?
1,4-difluoro-2-[4-fluoro-2-(4-hex-5-enylphenyl)phenyl]benzene has a molecular weight of 366.43 g/mol, XLogP of 7.34, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-difluoro-2-[4-fluoro-2-(4-hex-5-enylphenyl)phenyl]benzene is sourced from PubChem (CID 56619637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).