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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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).