2-(1,1,2,2-tetrafluoroethoxy)benzenethiol;hydrochloride;tetrahydrofluoride

C8H11ClF8OS — CID 173469135

IUPAC2-(1,1,2,2-tetrafluoroethoxy)benzenethiol;hydrochloride;tetrahydrofluoride
SMILESCl.F.F.F.F.FC(F)C(F)(F)Oc1ccccc1S
InChIInChI=1S/C8H6F4OS.ClH.4FH/c9-7(10)8(11,12)13-5-3-1-2-4-6(5)14;;;;;/h1-4,7,14H;5*1H
InChIKeyJEZAQJZFQFVGLX-UHFFFAOYSA-N
MW342.68 g/mol
LogP4.24
Rot. Bonds3

About 2-(1,1,2,2-tetrafluoroethoxy)benzenethiol;hydrochloride;tetrahydrofluoride

2-(1,1,2,2-tetrafluoroethoxy)benzenethiol;hydrochloride;tetrahydrofluoride (PubChem CID 173469135) has the molecular formula C8H11ClF8OS and a molecular weight of 342.68 g/mol. Its IUPAC name is 2-(1,1,2,2-tetrafluoroethoxy)benzenethiol;hydrochloride;tetrahydrofluoride.

Molecular Properties

Compound Name2-(1,1,2,2-tetrafluoroethoxy)benzenethiol;hydrochloride;tetrahydrofluoride
PubChem CID173469135
Molecular FormulaC8H11ClF8OS
Molecular Weight342.68 g/mol
Exact Mass342.01
IUPAC Name2-(1,1,2,2-tetrafluoroethoxy)benzenethiol;hydrochloride;tetrahydrofluoride
SMILESCl.F.F.F.F.FC(F)C(F)(F)Oc1ccccc1S
InChIInChI=1S/C8H6F4OS.ClH.4FH/c9-7(10)8(11,12)13-5-3-1-2-4-6(5)14;;;;;/h1-4,7,14H;5*1H
InChIKeyJEZAQJZFQFVGLX-UHFFFAOYSA-N
XLogP4.24
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.68
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine;hydrochloride
CID 171208529
(2R)-2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]azetidine;hydrochloride
CID 171197337
(1R)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-1-amine;hydrochloride
CID 171208533
(1R,2R)-1-amino-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-2-ol
CID 165345159
(R)-cyclobutyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine;hydrochloride
CID 171208551
(1S,2R)-1-amino-3-methyl-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pentan-2-ol;hydrochloride
CID 171269296
2-tert-butyl-3-(1,1,2,2-tetrafluoroethoxy)phenol
CID 174254528
(3R)-3-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]morpholine
CID 171192719
(1R,2S)-1-amino-5-methyl-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]hexan-2-ol;hydrochloride
CID 171263629
(2R)-2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrolidine
CID 171195993
3-[2-(1,1,2,2-tetrafluoroethoxy)anilino]propane-1,2-diol
CID 168596052
1,2-dinitro-3-(1,1,2,2-tetrafluoroethoxy)benzene
CID 19836380

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2-tetrafluoroethoxy)benzenethiol;hydrochloride;tetrahydrofluoride?
The IUPAC name of 2-(1,1,2,2-tetrafluoroethoxy)benzenethiol;hydrochloride;tetrahydrofluoride (CID 173469135) is 2-(1,1,2,2-tetrafluoroethoxy)benzenethiol;hydrochloride;tetrahydrofluoride.
What is the SMILES notation for 2-(1,1,2,2-tetrafluoroethoxy)benzenethiol;hydrochloride;tetrahydrofluoride?
The canonical SMILES for 2-(1,1,2,2-tetrafluoroethoxy)benzenethiol;hydrochloride;tetrahydrofluoride is Cl.F.F.F.F.FC(F)C(F)(F)Oc1ccccc1S.
What is the InChIKey of 2-(1,1,2,2-tetrafluoroethoxy)benzenethiol;hydrochloride;tetrahydrofluoride?
The InChIKey is JEZAQJZFQFVGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4OS.ClH.4FH/c9-7(10)8(11,12)13-5-3-1-2-4-6(5)14;;;;;/h1-4,7,14H;5*1H.
What are the key properties of 2-(1,1,2,2-tetrafluoroethoxy)benzenethiol;hydrochloride;tetrahydrofluoride?
2-(1,1,2,2-tetrafluoroethoxy)benzenethiol;hydrochloride;tetrahydrofluoride has a molecular weight of 342.68 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2-tetrafluoroethoxy)benzenethiol;hydrochloride;tetrahydrofluoride is sourced from PubChem (CID 173469135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).