3-ethyl-4-(trifluoromethylsulfanyl)phenol

C9H9F3OS — CID 170571961

IUPAC3-ethyl-4-(trifluoromethylsulfanyl)phenol
SMILESCCc1cc(O)ccc1SC(F)(F)F
InChIInChI=1S/C9H9F3OS/c1-2-6-5-7(13)3-4-8(6)14-9(10,11)12/h3-5,13H,2H2,1H3
InChIKeyJBJRHIWFBIZKFP-UHFFFAOYSA-N
MW222.23 g/mol
LogP3.57
Rot. Bonds2

About 3-ethyl-4-(trifluoromethylsulfanyl)phenol

3-ethyl-4-(trifluoromethylsulfanyl)phenol (PubChem CID 170571961) has the molecular formula C9H9F3OS and a molecular weight of 222.23 g/mol. Its IUPAC name is 3-ethyl-4-(trifluoromethylsulfanyl)phenol.

Molecular Properties

Compound Name3-ethyl-4-(trifluoromethylsulfanyl)phenol
PubChem CID170571961
Molecular FormulaC9H9F3OS
Molecular Weight222.23 g/mol
Exact Mass222.03
IUPAC Name3-ethyl-4-(trifluoromethylsulfanyl)phenol
SMILESCCc1cc(O)ccc1SC(F)(F)F
InChIInChI=1S/C9H9F3OS/c1-2-6-5-7(13)3-4-8(6)14-9(10,11)12/h3-5,13H,2H2,1H3
InChIKeyJBJRHIWFBIZKFP-UHFFFAOYSA-N
XLogP3.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethyl-4-hydroxyphenyl)sulfanylacetaldehyde
CID 89173612
1-ethyl-2,3-bis(trifluoromethyl)-4-(trifluoromethylsulfanyl)benzene
CID 135743105
ethyl 2-(2-ethyl-4-hydroxyphenyl)sulfanylacetate
CID 59732666
1-ethyl-2,4-bis(trifluoromethyl)-5-(trifluoromethylsulfanyl)benzene
CID 135743070
1-ethyl-2-fluoro-3-(trifluoromethylsulfanyl)benzene
CID 123730167
1-[5-(bromomethyl)-2-(trifluoromethylsulfanyl)phenyl]propan-2-one
CID 166640694
1-[3-(bromomethyl)-4-(trifluoromethylsulfanyl)phenyl]propan-2-one
CID 166640703
4-ethylbenzene-1,3-diol
CID 17927
1-[5-iodo-2-(trifluoromethylsulfanyl)phenyl]propan-1-one
CID 166640843
4-(2,4-diethylphenyl)sulfanylphenol
CID 91879872
4-(2-aminopropyl)-3-ethylphenol
CID 130001636
(2-ethyl-4-hydroxyphenyl)-trimethylazanium
CID 23621734

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(trifluoromethylsulfanyl)phenol?
The IUPAC name of 3-ethyl-4-(trifluoromethylsulfanyl)phenol (CID 170571961) is 3-ethyl-4-(trifluoromethylsulfanyl)phenol.
What is the SMILES notation for 3-ethyl-4-(trifluoromethylsulfanyl)phenol?
The canonical SMILES for 3-ethyl-4-(trifluoromethylsulfanyl)phenol is CCc1cc(O)ccc1SC(F)(F)F.
What is the InChIKey of 3-ethyl-4-(trifluoromethylsulfanyl)phenol?
The InChIKey is JBJRHIWFBIZKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3OS/c1-2-6-5-7(13)3-4-8(6)14-9(10,11)12/h3-5,13H,2H2,1H3.
What are the key properties of 3-ethyl-4-(trifluoromethylsulfanyl)phenol?
3-ethyl-4-(trifluoromethylsulfanyl)phenol has a molecular weight of 222.23 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(trifluoromethylsulfanyl)phenol is sourced from PubChem (CID 170571961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).