1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)benzene

C20H15F3O3S — CID 10548520

IUPAC1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)benzene
SMILESCOc1ccc(-c2cc(F)c(F)cc2-c2ccc(S(C)(=O)=O)cc2)cc1F
InChIInChI=1S/C20H15F3O3S/c1-26-20-8-5-13(9-19(20)23)16-11-18(22)17(21)10-15(16)12-3-6-14(7-4-12)27(2,24)25/h3-11H,1-2H3
InChIKeyDYJXKHJKHDHNON-UHFFFAOYSA-N
MW392.40 g/mol
LogP4.85
Rot. Bonds4

About 1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)benzene

1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)benzene (PubChem CID 10548520) has the molecular formula C20H15F3O3S and a molecular weight of 392.40 g/mol. Its IUPAC name is 1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)benzene.

Molecular Properties

Compound Name1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)benzene
PubChem CID10548520
Molecular FormulaC20H15F3O3S
Molecular Weight392.40 g/mol
Exact Mass392.07
IUPAC Name1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)benzene
SMILESCOc1ccc(-c2cc(F)c(F)cc2-c2ccc(S(C)(=O)=O)cc2)cc1F
InChIInChI=1S/C20H15F3O3S/c1-26-20-8-5-13(9-19(20)23)16-11-18(22)17(21)10-15(16)12-3-6-14(7-4-12)27(2,24)25/h3-11H,1-2H3
InChIKeyDYJXKHJKHDHNON-UHFFFAOYSA-N
XLogP4.85
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)benzene?
The IUPAC name of 1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)benzene (CID 10548520) is 1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)benzene.
What is the SMILES notation for 1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)benzene?
The canonical SMILES for 1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)benzene is COc1ccc(-c2cc(F)c(F)cc2-c2ccc(S(C)(=O)=O)cc2)cc1F.
What is the InChIKey of 1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)benzene?
The InChIKey is DYJXKHJKHDHNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3O3S/c1-26-20-8-5-13(9-19(20)23)16-11-18(22)17(21)10-15(16)12-3-6-14(7-4-12)27(2,24)25/h3-11H,1-2H3.
What are the key properties of 1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)benzene?
1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)benzene has a molecular weight of 392.40 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)benzene is sourced from PubChem (CID 10548520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).