1,2-difluoro-3-[2-(3-propoxyphenyl)phenyl]benzene

C21H18F2O — CID 67797974

IUPAC1,2-difluoro-3-[2-(3-propoxyphenyl)phenyl]benzene
SMILESCCCOc1cccc(-c2ccccc2-c2cccc(F)c2F)c1
InChIInChI=1S/C21H18F2O/c1-2-13-24-16-8-5-7-15(14-16)17-9-3-4-10-18(17)19-11-6-12-20(22)21(19)23/h3-12,14H,2,13H2,1H3
InChIKeyJEGADBWYVAQQAX-UHFFFAOYSA-N
MW324.37 g/mol
LogP6.09
Rot. Bonds5

About 1,2-difluoro-3-[2-(3-propoxyphenyl)phenyl]benzene

1,2-difluoro-3-[2-(3-propoxyphenyl)phenyl]benzene (PubChem CID 67797974) has the molecular formula C21H18F2O and a molecular weight of 324.37 g/mol. Its IUPAC name is 1,2-difluoro-3-[2-(3-propoxyphenyl)phenyl]benzene.

Molecular Properties

Compound Name1,2-difluoro-3-[2-(3-propoxyphenyl)phenyl]benzene
PubChem CID67797974
Molecular FormulaC21H18F2O
Molecular Weight324.37 g/mol
Exact Mass324.13
IUPAC Name1,2-difluoro-3-[2-(3-propoxyphenyl)phenyl]benzene
SMILESCCCOc1cccc(-c2ccccc2-c2cccc(F)c2F)c1
InChIInChI=1S/C21H18F2O/c1-2-13-24-16-8-5-7-15(14-16)17-9-3-4-10-18(17)19-11-6-12-20(22)21(19)23/h3-12,14H,2,13H2,1H3
InChIKeyJEGADBWYVAQQAX-UHFFFAOYSA-N
XLogP6.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.37
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-[2-(3-propoxyphenyl)phenyl]benzene?
The IUPAC name of 1,2-difluoro-3-[2-(3-propoxyphenyl)phenyl]benzene (CID 67797974) is 1,2-difluoro-3-[2-(3-propoxyphenyl)phenyl]benzene.
What is the SMILES notation for 1,2-difluoro-3-[2-(3-propoxyphenyl)phenyl]benzene?
The canonical SMILES for 1,2-difluoro-3-[2-(3-propoxyphenyl)phenyl]benzene is CCCOc1cccc(-c2ccccc2-c2cccc(F)c2F)c1.
What is the InChIKey of 1,2-difluoro-3-[2-(3-propoxyphenyl)phenyl]benzene?
The InChIKey is JEGADBWYVAQQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2O/c1-2-13-24-16-8-5-7-15(14-16)17-9-3-4-10-18(17)19-11-6-12-20(22)21(19)23/h3-12,14H,2,13H2,1H3.
What are the key properties of 1,2-difluoro-3-[2-(3-propoxyphenyl)phenyl]benzene?
1,2-difluoro-3-[2-(3-propoxyphenyl)phenyl]benzene has a molecular weight of 324.37 g/mol, XLogP of 6.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3-[2-(3-propoxyphenyl)phenyl]benzene is sourced from PubChem (CID 67797974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).