1,2-difluoro-4-methyl-5-(trifluoromethylsulfanyl)benzene

C8H5F5S — CID 118805699

IUPAC1,2-difluoro-4-methyl-5-(trifluoromethylsulfanyl)benzene
SMILESCc1cc(F)c(F)cc1SC(F)(F)F
InChIInChI=1S/C8H5F5S/c1-4-2-5(9)6(10)3-7(4)14-8(11,12)13/h2-3H,1H3
InChIKeyFOFNCGSFAAAAHE-UHFFFAOYSA-N
MW228.19 g/mol
LogP3.89
Rot. Bonds1

About 1,2-difluoro-4-methyl-5-(trifluoromethylsulfanyl)benzene

1,2-difluoro-4-methyl-5-(trifluoromethylsulfanyl)benzene (PubChem CID 118805699) has the molecular formula C8H5F5S and a molecular weight of 228.19 g/mol. Its IUPAC name is 1,2-difluoro-4-methyl-5-(trifluoromethylsulfanyl)benzene.

Molecular Properties

Compound Name1,2-difluoro-4-methyl-5-(trifluoromethylsulfanyl)benzene
PubChem CID118805699
Molecular FormulaC8H5F5S
Molecular Weight228.19 g/mol
Exact Mass228.00
IUPAC Name1,2-difluoro-4-methyl-5-(trifluoromethylsulfanyl)benzene
SMILESCc1cc(F)c(F)cc1SC(F)(F)F
InChIInChI=1S/C8H5F5S/c1-4-2-5(9)6(10)3-7(4)14-8(11,12)13/h2-3H,1H3
InChIKeyFOFNCGSFAAAAHE-UHFFFAOYSA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.19
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-fluoro-2,3-dimethyl-4-(trifluoromethylsulfanyl)aniline
CID 59638647
3-fluoro-1,2-dimethyl-4-(trifluoromethylsulfanyl)benzene
CID 130896820
2,4-dimethyl-1-(trifluoromethylsulfanyl)benzene;ethane
CID 143231440
4-tert-butyl-1-methyl-2-(trifluoromethylsulfanyl)benzene
CID 151565687
1-fluoro-2,4-dimethoxy-5-(trifluoromethylsulfanyl)benzene
CID 118807849
1-fluoro-2,3-dimethyl-4-(trifluoromethylsulfanyl)benzene
CID 118824763
1,2-dichloro-5-methyl-3-(trifluoromethylsulfanyl)benzene
CID 130849779
2,3,6-trimethyl-4-(trifluoromethylsulfanyl)phenol
CID 135080191
5-bromo-4-fluoro-2-(trifluoromethylsulfanyl)phenol
CID 130882156
1-fluoro-5-methyl-2-nitro-3-(trifluoromethylsulfanyl)benzene
CID 134630196
[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfanyl)phenyl]boronic acid
CID 22170959
[4-methyl-2-(trifluoromethylsulfanyl)phenyl]methanamine
CID 170900093

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-methyl-5-(trifluoromethylsulfanyl)benzene?
The IUPAC name of 1,2-difluoro-4-methyl-5-(trifluoromethylsulfanyl)benzene (CID 118805699) is 1,2-difluoro-4-methyl-5-(trifluoromethylsulfanyl)benzene.
What is the SMILES notation for 1,2-difluoro-4-methyl-5-(trifluoromethylsulfanyl)benzene?
The canonical SMILES for 1,2-difluoro-4-methyl-5-(trifluoromethylsulfanyl)benzene is Cc1cc(F)c(F)cc1SC(F)(F)F.
What is the InChIKey of 1,2-difluoro-4-methyl-5-(trifluoromethylsulfanyl)benzene?
The InChIKey is FOFNCGSFAAAAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5S/c1-4-2-5(9)6(10)3-7(4)14-8(11,12)13/h2-3H,1H3.
What are the key properties of 1,2-difluoro-4-methyl-5-(trifluoromethylsulfanyl)benzene?
1,2-difluoro-4-methyl-5-(trifluoromethylsulfanyl)benzene has a molecular weight of 228.19 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-methyl-5-(trifluoromethylsulfanyl)benzene is sourced from PubChem (CID 118805699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).