1,2-difluoro-3-(3-fluoro-5-methoxyphenyl)benzene

C13H9F3O — CID 134627065

IUPAC1,2-difluoro-3-(3-fluoro-5-methoxyphenyl)benzene
SMILESCOc1cc(F)cc(-c2cccc(F)c2F)c1
InChIInChI=1S/C13H9F3O/c1-17-10-6-8(5-9(14)7-10)11-3-2-4-12(15)13(11)16/h2-7H,1H3
InChIKeyAUXXKDWCBXXXCY-UHFFFAOYSA-N
MW238.21 g/mol
LogP3.78
Rot. Bonds2

About 1,2-difluoro-3-(3-fluoro-5-methoxyphenyl)benzene

1,2-difluoro-3-(3-fluoro-5-methoxyphenyl)benzene (PubChem CID 134627065) has the molecular formula C13H9F3O and a molecular weight of 238.21 g/mol. Its IUPAC name is 1,2-difluoro-3-(3-fluoro-5-methoxyphenyl)benzene.

Molecular Properties

Compound Name1,2-difluoro-3-(3-fluoro-5-methoxyphenyl)benzene
PubChem CID134627065
Molecular FormulaC13H9F3O
Molecular Weight238.21 g/mol
Exact Mass238.06
IUPAC Name1,2-difluoro-3-(3-fluoro-5-methoxyphenyl)benzene
SMILESCOc1cc(F)cc(-c2cccc(F)c2F)c1
InChIInChI=1S/C13H9F3O/c1-17-10-6-8(5-9(14)7-10)11-3-2-4-12(15)13(11)16/h2-7H,1H3
InChIKeyAUXXKDWCBXXXCY-UHFFFAOYSA-N
XLogP3.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 53.78
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-(3-fluoro-5-methoxyphenyl)benzene?
The IUPAC name of 1,2-difluoro-3-(3-fluoro-5-methoxyphenyl)benzene (CID 134627065) is 1,2-difluoro-3-(3-fluoro-5-methoxyphenyl)benzene.
What is the SMILES notation for 1,2-difluoro-3-(3-fluoro-5-methoxyphenyl)benzene?
The canonical SMILES for 1,2-difluoro-3-(3-fluoro-5-methoxyphenyl)benzene is COc1cc(F)cc(-c2cccc(F)c2F)c1.
What is the InChIKey of 1,2-difluoro-3-(3-fluoro-5-methoxyphenyl)benzene?
The InChIKey is AUXXKDWCBXXXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3O/c1-17-10-6-8(5-9(14)7-10)11-3-2-4-12(15)13(11)16/h2-7H,1H3.
What are the key properties of 1,2-difluoro-3-(3-fluoro-5-methoxyphenyl)benzene?
1,2-difluoro-3-(3-fluoro-5-methoxyphenyl)benzene has a molecular weight of 238.21 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3-(3-fluoro-5-methoxyphenyl)benzene is sourced from PubChem (CID 134627065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).