2-methyl-3-(trifluoromethylsulfanyl)phenol

C8H7F3OS — CID 151763665

IUPAC2-methyl-3-(trifluoromethylsulfanyl)phenol
SMILESCc1c(O)cccc1SC(F)(F)F
InChIInChI=1S/C8H7F3OS/c1-5-6(12)3-2-4-7(5)13-8(9,10)11/h2-4,12H,1H3
InChIKeyRRCGYMUAEXRQNZ-UHFFFAOYSA-N
MW208.20 g/mol
LogP3.31
Rot. Bonds1

About 2-methyl-3-(trifluoromethylsulfanyl)phenol

2-methyl-3-(trifluoromethylsulfanyl)phenol (PubChem CID 151763665) has the molecular formula C8H7F3OS and a molecular weight of 208.20 g/mol. Its IUPAC name is 2-methyl-3-(trifluoromethylsulfanyl)phenol.

Molecular Properties

Compound Name2-methyl-3-(trifluoromethylsulfanyl)phenol
PubChem CID151763665
Molecular FormulaC8H7F3OS
Molecular Weight208.20 g/mol
Exact Mass208.02
IUPAC Name2-methyl-3-(trifluoromethylsulfanyl)phenol
SMILESCc1c(O)cccc1SC(F)(F)F
InChIInChI=1S/C8H7F3OS/c1-5-6(12)3-2-4-7(5)13-8(9,10)11/h2-4,12H,1H3
InChIKeyRRCGYMUAEXRQNZ-UHFFFAOYSA-N
XLogP3.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(trifluoromethylsulfanyl)phenol
CID 10176507
1,2-bis(trifluoromethylsulfanyl)benzene
CID 90684724
3-[2-methyl-3-(trifluoromethylsulfanyl)phenyl]propanoic acid
CID 135743410
1-fluoro-2,3-dimethyl-4-(trifluoromethylsulfanyl)benzene
CID 118824763
1-tert-butyl-2-(trifluoromethylsulfanyl)benzene
CID 58989932
2-methylbenzene-1,3-diol
CID 139200813
methyl 3-[2-methyl-3-(trifluoromethylsulfanyl)phenyl]propanoate
CID 134634555
2,3,6-trimethyl-4-(trifluoromethylsulfanyl)phenol
CID 135080191
2-chloro-1-[2-methyl-6-(trifluoromethylsulfanyl)phenyl]propan-1-one
CID 134617024
1-ethyl-2-fluoro-3-(trifluoromethylsulfanyl)benzene
CID 123730167
bis(2,3-dimethylphenol);zirconium(2+);dichloride
CID 174478108
3-fluoro-1,2-dimethyl-4-(trifluoromethylsulfanyl)benzene
CID 130896820

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(trifluoromethylsulfanyl)phenol?
The IUPAC name of 2-methyl-3-(trifluoromethylsulfanyl)phenol (CID 151763665) is 2-methyl-3-(trifluoromethylsulfanyl)phenol.
What is the SMILES notation for 2-methyl-3-(trifluoromethylsulfanyl)phenol?
The canonical SMILES for 2-methyl-3-(trifluoromethylsulfanyl)phenol is Cc1c(O)cccc1SC(F)(F)F.
What is the InChIKey of 2-methyl-3-(trifluoromethylsulfanyl)phenol?
The InChIKey is RRCGYMUAEXRQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3OS/c1-5-6(12)3-2-4-7(5)13-8(9,10)11/h2-4,12H,1H3.
What are the key properties of 2-methyl-3-(trifluoromethylsulfanyl)phenol?
2-methyl-3-(trifluoromethylsulfanyl)phenol has a molecular weight of 208.20 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(trifluoromethylsulfanyl)phenol is sourced from PubChem (CID 151763665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).