1,3-difluoro-5-(4-hexylphenyl)benzene

C18H20F2 — CID 130468309

IUPAC1,3-difluoro-5-(4-hexylphenyl)benzene
SMILESCCCCCCc1ccc(-c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C18H20F2/c1-2-3-4-5-6-14-7-9-15(10-8-14)16-11-17(19)13-18(20)12-16/h7-13H,2-6H2,1H3
InChIKeyOPIJBIHBMGIEQT-UHFFFAOYSA-N
MW274.35 g/mol
LogP5.75
Rot. Bonds6

About 1,3-difluoro-5-(4-hexylphenyl)benzene

1,3-difluoro-5-(4-hexylphenyl)benzene (PubChem CID 130468309) has the molecular formula C18H20F2 and a molecular weight of 274.35 g/mol. Its IUPAC name is 1,3-difluoro-5-(4-hexylphenyl)benzene.

Molecular Properties

Compound Name1,3-difluoro-5-(4-hexylphenyl)benzene
PubChem CID130468309
Molecular FormulaC18H20F2
Molecular Weight274.35 g/mol
Exact Mass274.15
IUPAC Name1,3-difluoro-5-(4-hexylphenyl)benzene
SMILESCCCCCCc1ccc(-c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C18H20F2/c1-2-3-4-5-6-14-7-9-15(10-8-14)16-11-17(19)13-18(20)12-16/h7-13H,2-6H2,1H3
InChIKeyOPIJBIHBMGIEQT-UHFFFAOYSA-N
XLogP5.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.35
LogP ≤ 55.75
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-octyl-4-(4-octylphenyl)benzene
CID 22766415
5-[4-[7-[4-(3,5-difluoro-4-pentylphenyl)phenyl]heptyl]phenyl]-1,3-difluoro-2-pentylbenzene
CID 121343129
6-decyl-2-(6-decylazulen-2-yl)azulene
CID 177425014
2-fluoro-4-(4-heptylphenyl)-1-pentylbenzene
CID 67842495
1-pentadecyl-4-phenylbenzene
CID 57166115
2,4-difluoro-1-(4-octylphenyl)benzene
CID 56633566
1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene
CID 19906985
1,2,3-trimethyl-5-[4-(4-pentylphenyl)phenyl]benzene
CID 20683488
1,3-bis[4-[2-[4-(4-hexylphenyl)phenyl]ethyl]phenyl]benzene
CID 58085049
1,3-bis[4-[2-(4-hexylphenyl)ethyl]phenyl]benzene
CID 58085021
1-butyl-4-nonylbenzene
CID 59545302
2-butoxy-1,3-difluoro-5-(4-pentylphenyl)benzene
CID 67842427

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-(4-hexylphenyl)benzene?
The IUPAC name of 1,3-difluoro-5-(4-hexylphenyl)benzene (CID 130468309) is 1,3-difluoro-5-(4-hexylphenyl)benzene.
What is the SMILES notation for 1,3-difluoro-5-(4-hexylphenyl)benzene?
The canonical SMILES for 1,3-difluoro-5-(4-hexylphenyl)benzene is CCCCCCc1ccc(-c2cc(F)cc(F)c2)cc1.
What is the InChIKey of 1,3-difluoro-5-(4-hexylphenyl)benzene?
The InChIKey is OPIJBIHBMGIEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2/c1-2-3-4-5-6-14-7-9-15(10-8-14)16-11-17(19)13-18(20)12-16/h7-13H,2-6H2,1H3.
What are the key properties of 1,3-difluoro-5-(4-hexylphenyl)benzene?
1,3-difluoro-5-(4-hexylphenyl)benzene has a molecular weight of 274.35 g/mol, XLogP of 5.75, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-5-(4-hexylphenyl)benzene is sourced from PubChem (CID 130468309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).