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

C8H3F7OS — CID 166641332

IUPAC1-(difluoromethoxy)-2,3-difluoro-4-(trifluoromethylsulfanyl)benzene
SMILESFc1c(OC(F)F)ccc(SC(F)(F)F)c1F
InChIInChI=1S/C8H3F7OS/c9-5-3(16-7(11)12)1-2-4(6(5)10)17-8(13,14)15/h1-2,7H
InChIKeyBLBZABGLUOLFLO-UHFFFAOYSA-N
MW280.16 g/mol
LogP4.18
Rot. Bonds3

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

1-(difluoromethoxy)-2,3-difluoro-4-(trifluoromethylsulfanyl)benzene (PubChem CID 166641332) has the molecular formula C8H3F7OS and a molecular weight of 280.16 g/mol. Its IUPAC name is 1-(difluoromethoxy)-2,3-difluoro-4-(trifluoromethylsulfanyl)benzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-2,3-difluoro-4-(trifluoromethylsulfanyl)benzene
PubChem CID166641332
Molecular FormulaC8H3F7OS
Molecular Weight280.16 g/mol
Exact Mass279.98
IUPAC Name1-(difluoromethoxy)-2,3-difluoro-4-(trifluoromethylsulfanyl)benzene
SMILESFc1c(OC(F)F)ccc(SC(F)(F)F)c1F
InChIInChI=1S/C8H3F7OS/c9-5-3(16-7(11)12)1-2-4(6(5)10)17-8(13,14)15/h1-2,7H
InChIKeyBLBZABGLUOLFLO-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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Related Compounds

2-(difluoromethoxy)-1,3-difluoro-4-(trifluoromethylsulfanyl)benzene
CID 166641295
1,5-dibromo-2-(difluoromethoxy)-4-(trifluoromethylsulfanyl)benzene
CID 118824768
4-(difluoromethoxy)-2,3-difluorobenzoic acid
CID 46311566
3-fluoro-1,2-dimethyl-4-(trifluoromethylsulfanyl)benzene
CID 130896820
2-(3-bromopropyl)-1-(difluoromethoxy)-3-(trifluoromethylsulfanyl)benzene
CID 166641262
1-[2-(difluoromethoxy)-5-(trifluoromethylsulfanyl)phenyl]propan-2-one
CID 166640675
1-(difluoromethoxy)-2-fluoro-4-(trifluoromethoxy)benzene
CID 170836985
[3-(difluoromethoxy)-2,6-difluorophenyl]methanamine
CID 130934033
1,2-bis(trifluoromethylsulfanyl)benzene
CID 90684724
2-fluoro-1,3-bis(trifluoromethyl)-4-(trifluoromethylsulfanyl)benzene
CID 166641352
1-(difluoromethoxy)-2,4-difluorobenzene
CID 18344090
ethyl 3-cyano-6-(difluoromethoxy)-2-(trifluoromethylsulfanyl)benzoate
CID 134644176

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-2,3-difluoro-4-(trifluoromethylsulfanyl)benzene?
The IUPAC name of 1-(difluoromethoxy)-2,3-difluoro-4-(trifluoromethylsulfanyl)benzene (CID 166641332) is 1-(difluoromethoxy)-2,3-difluoro-4-(trifluoromethylsulfanyl)benzene.
What is the SMILES notation for 1-(difluoromethoxy)-2,3-difluoro-4-(trifluoromethylsulfanyl)benzene?
The canonical SMILES for 1-(difluoromethoxy)-2,3-difluoro-4-(trifluoromethylsulfanyl)benzene is Fc1c(OC(F)F)ccc(SC(F)(F)F)c1F.
What is the InChIKey of 1-(difluoromethoxy)-2,3-difluoro-4-(trifluoromethylsulfanyl)benzene?
The InChIKey is BLBZABGLUOLFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F7OS/c9-5-3(16-7(11)12)1-2-4(6(5)10)17-8(13,14)15/h1-2,7H.
What are the key properties of 1-(difluoromethoxy)-2,3-difluoro-4-(trifluoromethylsulfanyl)benzene?
1-(difluoromethoxy)-2,3-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 1-(difluoromethoxy)-2,3-difluoro-4-(trifluoromethylsulfanyl)benzene is sourced from PubChem (CID 166641332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).