2-(trifluoromethylsulfanyl)phenol

C7H5F3OS — CID 10176507

IUPAC2-(trifluoromethylsulfanyl)phenol
SMILESOc1ccccc1SC(F)(F)F
InChIInChI=1S/C7H5F3OS/c8-7(9,10)12-6-4-2-1-3-5(6)11/h1-4,11H
InChIKeyQIVDFUUJJILMTQ-UHFFFAOYSA-N
MW194.18 g/mol
LogP3.00
Rot. Bonds1

About 2-(trifluoromethylsulfanyl)phenol

2-(trifluoromethylsulfanyl)phenol (PubChem CID 10176507) has the molecular formula C7H5F3OS and a molecular weight of 194.18 g/mol. Its IUPAC name is 2-(trifluoromethylsulfanyl)phenol.

Molecular Properties

Compound Name2-(trifluoromethylsulfanyl)phenol
PubChem CID10176507
Molecular FormulaC7H5F3OS
Molecular Weight194.18 g/mol
Exact Mass194.00
IUPAC Name2-(trifluoromethylsulfanyl)phenol
SMILESOc1ccccc1SC(F)(F)F
InChIInChI=1S/C7H5F3OS/c8-7(9,10)12-6-4-2-1-3-5(6)11/h1-4,11H
InChIKeyQIVDFUUJJILMTQ-UHFFFAOYSA-N
XLogP3.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-bis(trifluoromethylsulfanyl)benzene
CID 90684724
2-methyl-3-(trifluoromethylsulfanyl)phenol
CID 151763665
2-(trifluoromethyldisulfanyl)phenol
CID 54099612
2,2-difluoro-2-(2-hydroxyphenyl)sulfanylacetic acid
CID 81218217
2-(trifluoromethylsulfanyl)benzonitrile
CID 2777863
1-(dichloromethyl)-2-(trifluoromethylsulfanyl)benzene
CID 121233972
1-tert-butyl-2-(trifluoromethylsulfanyl)benzene
CID 58989932
(NZ)-N-[[2-(trifluoromethylsulfanyl)phenyl]methylidene]hydroxylamine
CID 122361009
2-(trifluoromethylsulfanyl)benzaldehyde
CID 2777842
N,N-diethyl-2-(trifluoromethylsulfanyl)benzamide
CID 60753360
2-(2-hydroxyphenyl)sulfanyl-2-methylpropanoic acid
CID 82237250
2-amino-1-[2-(trifluoromethylsulfanyl)phenyl]ethanone
CID 170860575

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethylsulfanyl)phenol?
The IUPAC name of 2-(trifluoromethylsulfanyl)phenol (CID 10176507) is 2-(trifluoromethylsulfanyl)phenol.
What is the SMILES notation for 2-(trifluoromethylsulfanyl)phenol?
The canonical SMILES for 2-(trifluoromethylsulfanyl)phenol is Oc1ccccc1SC(F)(F)F.
What is the InChIKey of 2-(trifluoromethylsulfanyl)phenol?
The InChIKey is QIVDFUUJJILMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3OS/c8-7(9,10)12-6-4-2-1-3-5(6)11/h1-4,11H.
What are the key properties of 2-(trifluoromethylsulfanyl)phenol?
2-(trifluoromethylsulfanyl)phenol has a molecular weight of 194.18 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethylsulfanyl)phenol is sourced from PubChem (CID 10176507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).