2,4-difluoro-1-(4-octylphenyl)benzene

C20H24F2 — CID 56633566

IUPAC2,4-difluoro-1-(4-octylphenyl)benzene
SMILESCCCCCCCCc1ccc(-c2ccc(F)cc2F)cc1
InChIInChI=1S/C20H24F2/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)19-14-13-18(21)15-20(19)22/h9-15H,2-8H2,1H3
InChIKeyNRBIPUUNFUJVMF-UHFFFAOYSA-N
MW302.41 g/mol
LogP6.53
Rot. Bonds8

About 2,4-difluoro-1-(4-octylphenyl)benzene

2,4-difluoro-1-(4-octylphenyl)benzene (PubChem CID 56633566) has the molecular formula C20H24F2 and a molecular weight of 302.41 g/mol. Its IUPAC name is 2,4-difluoro-1-(4-octylphenyl)benzene.

Molecular Properties

Compound Name2,4-difluoro-1-(4-octylphenyl)benzene
PubChem CID56633566
Molecular FormulaC20H24F2
Molecular Weight302.41 g/mol
Exact Mass302.18
IUPAC Name2,4-difluoro-1-(4-octylphenyl)benzene
SMILESCCCCCCCCc1ccc(-c2ccc(F)cc2F)cc1
InChIInChI=1S/C20H24F2/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)19-14-13-18(21)15-20(19)22/h9-15H,2-8H2,1H3
InChIKeyNRBIPUUNFUJVMF-UHFFFAOYSA-N
XLogP6.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.41
LogP ≤ 56.53
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

2,4-difluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]benzene
CID 165362771
2-fluoro-1-(4-heptylphenyl)-4-[2-(4-pentylphenyl)ethyl]benzene
CID 19906944
4-butyl-2-fluoro-1-[4-[2-(4-pentylphenyl)ethyl]phenyl]benzene
CID 19906913
2-fluoro-4-[3-fluoro-4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene
CID 59547087
4-(2,4-difluorophenyl)-2-(4-heptylphenyl)benzoic acid
CID 158231755
1,4-bis(4-butylphenyl)-2-fluorobenzene;1-(4-butylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;4-(4-butylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;2-fluoro-1,4-bis(4-pentylphenyl)benzene;2-fluoro-4-(4-pentylphenyl)-1-(4-propylphenyl)benzene
CID 167612803
2-fluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]-4-methylbenzene
CID 174355858
2,3-difluoro-1-(2-fluoro-4-nonylphenyl)-4-(4-nonylphenyl)benzene
CID 10768709
2,3-difluoro-1-[3-fluoro-4-(4-hexylphenyl)phenyl]-4-methylbenzene
CID 121369897
5-[3-fluoro-4-(4-pentylphenyl)phenyl]-2-octylpyridine
CID 19859739
5-[3-fluoro-4-(4-heptylphenyl)phenyl]-2-octylpyridine
CID 19859567
2,4-difluoro-1-[4-(3-iodopropyl)phenyl]benzene
CID 25223670

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-1-(4-octylphenyl)benzene?
The IUPAC name of 2,4-difluoro-1-(4-octylphenyl)benzene (CID 56633566) is 2,4-difluoro-1-(4-octylphenyl)benzene.
What is the SMILES notation for 2,4-difluoro-1-(4-octylphenyl)benzene?
The canonical SMILES for 2,4-difluoro-1-(4-octylphenyl)benzene is CCCCCCCCc1ccc(-c2ccc(F)cc2F)cc1.
What is the InChIKey of 2,4-difluoro-1-(4-octylphenyl)benzene?
The InChIKey is NRBIPUUNFUJVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)19-14-13-18(21)15-20(19)22/h9-15H,2-8H2,1H3.
What are the key properties of 2,4-difluoro-1-(4-octylphenyl)benzene?
2,4-difluoro-1-(4-octylphenyl)benzene has a molecular weight of 302.41 g/mol, XLogP of 6.53, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-1-(4-octylphenyl)benzene is sourced from PubChem (CID 56633566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).