2-(difluoromethoxy)-1,3-difluoro-4-(trifluoromethylsulfanyl)benzene

C8H3F7OS — CID 166641295

IUPAC2-(difluoromethoxy)-1,3-difluoro-4-(trifluoromethylsulfanyl)benzene
SMILESFc1ccc(SC(F)(F)F)c(F)c1OC(F)F
InChIInChI=1S/C8H3F7OS/c9-3-1-2-4(17-8(13,14)15)5(10)6(3)16-7(11)12/h1-2,7H
InChIKeyRLMHEDXBSMXMLP-UHFFFAOYSA-N
MW280.16 g/mol
LogP4.18
Rot. Bonds3

About 2-(difluoromethoxy)-1,3-difluoro-4-(trifluoromethylsulfanyl)benzene

2-(difluoromethoxy)-1,3-difluoro-4-(trifluoromethylsulfanyl)benzene (PubChem CID 166641295) has the molecular formula C8H3F7OS and a molecular weight of 280.16 g/mol. Its IUPAC name is 2-(difluoromethoxy)-1,3-difluoro-4-(trifluoromethylsulfanyl)benzene.

Molecular Properties

Compound Name2-(difluoromethoxy)-1,3-difluoro-4-(trifluoromethylsulfanyl)benzene
PubChem CID166641295
Molecular FormulaC8H3F7OS
Molecular Weight280.16 g/mol
Exact Mass279.98
IUPAC Name2-(difluoromethoxy)-1,3-difluoro-4-(trifluoromethylsulfanyl)benzene
SMILESFc1ccc(SC(F)(F)F)c(F)c1OC(F)F
InChIInChI=1S/C8H3F7OS/c9-3-1-2-4(17-8(13,14)15)5(10)6(3)16-7(11)12/h1-2,7H
InChIKeyRLMHEDXBSMXMLP-UHFFFAOYSA-N
XLogP4.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.16
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-1,3-difluoro-4-(trifluoromethylsulfanyl)benzene?
The IUPAC name of 2-(difluoromethoxy)-1,3-difluoro-4-(trifluoromethylsulfanyl)benzene (CID 166641295) is 2-(difluoromethoxy)-1,3-difluoro-4-(trifluoromethylsulfanyl)benzene.
What is the SMILES notation for 2-(difluoromethoxy)-1,3-difluoro-4-(trifluoromethylsulfanyl)benzene?
The canonical SMILES for 2-(difluoromethoxy)-1,3-difluoro-4-(trifluoromethylsulfanyl)benzene is Fc1ccc(SC(F)(F)F)c(F)c1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-1,3-difluoro-4-(trifluoromethylsulfanyl)benzene?
The InChIKey is RLMHEDXBSMXMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F7OS/c9-3-1-2-4(17-8(13,14)15)5(10)6(3)16-7(11)12/h1-2,7H.
What are the key properties of 2-(difluoromethoxy)-1,3-difluoro-4-(trifluoromethylsulfanyl)benzene?
2-(difluoromethoxy)-1,3-difluoro-4-(trifluoromethylsulfanyl)benzene has a molecular weight of 280.16 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-1,3-difluoro-4-(trifluoromethylsulfanyl)benzene is sourced from PubChem (CID 166641295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).