2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(2-phenylethyl)phenyl]benzene

C26H18F4 — CID 163699414

IUPAC2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(2-phenylethyl)phenyl]benzene
SMILESFc1ccc(-c2c(F)cc(-c3ccc(CCc4ccccc4)cc3)cc2F)cc1F
InChIInChI=1S/C26H18F4/c27-22-13-12-20(14-23(22)28)26-24(29)15-21(16-25(26)30)19-10-8-18(9-11-19)7-6-17-4-2-1-3-5-17/h1-5,8-16H,6-7H2
InChIKeyJZRRCXJUJHSICB-UHFFFAOYSA-N
MW406.42 g/mol
LogP7.36
Rot. Bonds5

About 2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(2-phenylethyl)phenyl]benzene

2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(2-phenylethyl)phenyl]benzene (PubChem CID 163699414) has the molecular formula C26H18F4 and a molecular weight of 406.42 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(2-phenylethyl)phenyl]benzene.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(2-phenylethyl)phenyl]benzene
PubChem CID163699414
Molecular FormulaC26H18F4
Molecular Weight406.42 g/mol
Exact Mass406.13
IUPAC Name2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(2-phenylethyl)phenyl]benzene
SMILESFc1ccc(-c2c(F)cc(-c3ccc(CCc4ccccc4)cc3)cc2F)cc1F
InChIInChI=1S/C26H18F4/c27-22-13-12-20(14-23(22)28)26-24(29)15-21(16-25(26)30)19-10-8-18(9-11-19)7-6-17-4-2-1-3-5-17/h1-5,8-16H,6-7H2
InChIKeyJZRRCXJUJHSICB-UHFFFAOYSA-N
XLogP7.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.42
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-(4-propylphenyl)ethyl]benzene
CID 18513408
4-[4-[2-(4-ethylphenyl)ethyl]phenyl]-1,2-difluorobenzene
CID 18984130
1,3-difluoro-5-(4-propylphenyl)-2-(3,4,5-trifluorophenyl)benzene
CID 86196386
1-fluoro-3-[2-(4-phenylphenyl)ethyl]benzene
CID 174588625
[4-(3,4-difluorophenyl)phenyl]methanamine
CID 61033518
5-[4-(4-butylphenyl)-2-fluorophenyl]-2-(3,4-difluorophenyl)-1,3-difluorobenzene;2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene;2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;2-(3,4-difluorophenyl)-5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,3-difluorobenzene
CID 158516829
1,3-difluoro-5-[4-(7-fluoroheptyl)phenyl]-2-(4-methylphenyl)benzene
CID 20663476
2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-[4-[(E)-pent-3-enyl]phenyl]ethynyl]benzene
CID 139799013
4-[2-[4-(3,4-difluorophenyl)phenyl]ethyl]-1,1-diphenylsilinane
CID 22404086
1,2-difluoro-4-[4-[5-[4-(3-fluoro-4-methylphenyl)phenyl]pentyl]phenyl]benzene
CID 167697950
benzene;2-phenylethylbenzene
CID 18982764
benzyl-[[4-[3,5-bis[4-[(benzylazaniumyl)methyl]phenyl]phenyl]phenyl]methyl]azanium
CID 101337215

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(2-phenylethyl)phenyl]benzene?
The IUPAC name of 2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(2-phenylethyl)phenyl]benzene (CID 163699414) is 2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(2-phenylethyl)phenyl]benzene.
What is the SMILES notation for 2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(2-phenylethyl)phenyl]benzene?
The canonical SMILES for 2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(2-phenylethyl)phenyl]benzene is Fc1ccc(-c2c(F)cc(-c3ccc(CCc4ccccc4)cc3)cc2F)cc1F.
What is the InChIKey of 2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(2-phenylethyl)phenyl]benzene?
The InChIKey is JZRRCXJUJHSICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F4/c27-22-13-12-20(14-23(22)28)26-24(29)15-21(16-25(26)30)19-10-8-18(9-11-19)7-6-17-4-2-1-3-5-17/h1-5,8-16H,6-7H2.
What are the key properties of 2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(2-phenylethyl)phenyl]benzene?
2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(2-phenylethyl)phenyl]benzene has a molecular weight of 406.42 g/mol, XLogP of 7.36, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(2-phenylethyl)phenyl]benzene is sourced from PubChem (CID 163699414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).