2,3-difluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-prop-1-enylphenyl)benzene

C28H21F3 — CID 59547448

IUPAC2,3-difluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-prop-1-enylphenyl)benzene
SMILESCC=Cc1ccc(-c2ccc(-c3ccc(-c4ccc(C)cc4)c(F)c3)c(F)c2F)cc1
InChIInChI=1S/C28H21F3/c1-3-4-19-7-11-21(12-8-19)24-15-16-25(28(31)27(24)30)22-13-14-23(26(29)17-22)20-9-5-18(2)6-10-20/h3-17H,1-2H3
InChIKeyGPPNZJGOFRSWBS-UHFFFAOYSA-N
MW414.47 g/mol
LogP8.45
Rot. Bonds4

About 2,3-difluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-prop-1-enylphenyl)benzene

2,3-difluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-prop-1-enylphenyl)benzene (PubChem CID 59547448) has the molecular formula C28H21F3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 2,3-difluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-prop-1-enylphenyl)benzene.

Molecular Properties

Compound Name2,3-difluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-prop-1-enylphenyl)benzene
PubChem CID59547448
Molecular FormulaC28H21F3
Molecular Weight414.47 g/mol
Exact Mass414.16
IUPAC Name2,3-difluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-prop-1-enylphenyl)benzene
SMILESCC=Cc1ccc(-c2ccc(-c3ccc(-c4ccc(C)cc4)c(F)c3)c(F)c2F)cc1
InChIInChI=1S/C28H21F3/c1-3-4-19-7-11-21(12-8-19)24-15-16-25(28(31)27(24)30)22-13-14-23(26(29)17-22)20-9-5-18(2)6-10-20/h3-17H,1-2H3
InChIKeyGPPNZJGOFRSWBS-UHFFFAOYSA-N
XLogP8.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.47
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-methylphenyl)benzene;methane
CID 161341950
2,3-difluoro-1-[2-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]-4-methylbenzene
CID 58756075
2-methyl-4-prop-1-enyl-1-(4-prop-1-enylphenyl)benzene
CID 152732613
1-chloro-2-fluoro-3-[3-fluoro-4-(4-methylphenyl)phenyl]benzene
CID 58058665
2-(difluoromethoxy)-1,3-difluoro-5-[2-fluoro-4-(4-prop-1-enylphenyl)phenyl]benzene
CID 59207583
4-chloro-2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]benzene;ethane
CID 143948074
1-(4-ethylphenyl)-2-fluoro-4-(2-fluoro-4-methylphenyl)benzene
CID 169027138
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylphenyl)phenyl]phenyl]benzene
CID 59814115
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylphenyl)phenyl]phenyl]benzene
CID 158177832
2-fluoro-4-(2-fluoro-4-methylphenyl)phenol
CID 53219309
1-[4-(4-ethenylphenyl)-3-fluorophenyl]-2,3-difluoro-4-methoxybenzene
CID 126584325
4-(4-but-2-enylphenyl)-2-fluoro-1-(4-methylphenyl)benzene
CID 59307258

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-prop-1-enylphenyl)benzene?
The IUPAC name of 2,3-difluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-prop-1-enylphenyl)benzene (CID 59547448) is 2,3-difluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-prop-1-enylphenyl)benzene.
What is the SMILES notation for 2,3-difluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-prop-1-enylphenyl)benzene?
The canonical SMILES for 2,3-difluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-prop-1-enylphenyl)benzene is CC=Cc1ccc(-c2ccc(-c3ccc(-c4ccc(C)cc4)c(F)c3)c(F)c2F)cc1.
What is the InChIKey of 2,3-difluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-prop-1-enylphenyl)benzene?
The InChIKey is GPPNZJGOFRSWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F3/c1-3-4-19-7-11-21(12-8-19)24-15-16-25(28(31)27(24)30)22-13-14-23(26(29)17-22)20-9-5-18(2)6-10-20/h3-17H,1-2H3.
What are the key properties of 2,3-difluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-prop-1-enylphenyl)benzene?
2,3-difluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-prop-1-enylphenyl)benzene has a molecular weight of 414.47 g/mol, XLogP of 8.45, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-prop-1-enylphenyl)benzene is sourced from PubChem (CID 59547448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).