1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-pentylbenzene

C24H22F4 — CID 146536354

IUPAC1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-pentylbenzene
SMILESCCCCCc1ccc(-c2ccc(-c3ccc(C)c(F)c3F)cc2)c(F)c1F
InChIInChI=1S/C24H22F4/c1-3-4-5-6-18-12-14-20(24(28)22(18)26)17-10-8-16(9-11-17)19-13-7-15(2)21(25)23(19)27/h7-14H,3-6H2,1-2H3
InChIKeyQAPLKFDUPJZBDN-UHFFFAOYSA-N
MW386.43 g/mol
LogP7.62
Rot. Bonds6

About 1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-pentylbenzene

1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-pentylbenzene (PubChem CID 146536354) has the molecular formula C24H22F4 and a molecular weight of 386.43 g/mol. Its IUPAC name is 1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-pentylbenzene.

Molecular Properties

Compound Name1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-pentylbenzene
PubChem CID146536354
Molecular FormulaC24H22F4
Molecular Weight386.43 g/mol
Exact Mass386.17
IUPAC Name1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-pentylbenzene
SMILESCCCCCc1ccc(-c2ccc(-c3ccc(C)c(F)c3F)cc2)c(F)c1F
InChIInChI=1S/C24H22F4/c1-3-4-5-6-18-12-14-20(24(28)22(18)26)17-10-8-16(9-11-17)19-13-7-15(2)21(25)23(19)27/h7-14H,3-6H2,1-2H3
InChIKeyQAPLKFDUPJZBDN-UHFFFAOYSA-N
XLogP7.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.43
LogP ≤ 57.62
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

2,3-difluoro-1,4-bis(4-pentylphenyl)benzene;2,3-difluoro-1-methyl-4-[4-(4-pentylphenyl)phenyl]benzene;2,3-difluoro-1-pentyl-4-[4-(4-pentylphenyl)phenyl]benzene
CID 91519277
2,3-difluoro-1-pentyl-4-[4-(4-pentylphenyl)phenyl]benzene
CID 22960039
2,3-difluoro-1-(4-octoxyphenyl)-4-pentylbenzene
CID 20665389
2,3-difluoro-1-pentyl-4-[4-(4-prop-1-ynylphenyl)phenyl]benzene
CID 19013841
1-[4-(4-ethoxyphenyl)phenyl]-2,3-difluoro-4-octylbenzene
CID 54190896
1-ethyl-2,3-difluoro-4-(4-pentylphenyl)benzene
CID 118911713
CID 20739222
CID 20739222
2,3-difluoro-1-[3-fluoro-4-(4-hexylphenyl)phenyl]-4-methylbenzene
CID 121369897
2-[4-(4-butyl-2,3-difluorophenyl)phenyl]-5-heptylpyrimidine
CID 19103459
2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-(4-pentylphenyl)benzene
CID 20679712
1-butyl-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436412
2,3-difluoro-1-(4-pentylphenyl)-4-(4-propylphenyl)benzene
CID 14495749

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-pentylbenzene?
The IUPAC name of 1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-pentylbenzene (CID 146536354) is 1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-pentylbenzene.
What is the SMILES notation for 1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-pentylbenzene?
The canonical SMILES for 1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-pentylbenzene is CCCCCc1ccc(-c2ccc(-c3ccc(C)c(F)c3F)cc2)c(F)c1F.
What is the InChIKey of 1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-pentylbenzene?
The InChIKey is QAPLKFDUPJZBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F4/c1-3-4-5-6-18-12-14-20(24(28)22(18)26)17-10-8-16(9-11-17)19-13-7-15(2)21(25)23(19)27/h7-14H,3-6H2,1-2H3.
What are the key properties of 1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-pentylbenzene?
1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-pentylbenzene has a molecular weight of 386.43 g/mol, XLogP of 7.62, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-pentylbenzene is sourced from PubChem (CID 146536354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).