[4-(trifluoromethoxy)phenyl] methanesulfinate

C8H7F3O3S — CID 59940002

IUPAC[4-(trifluoromethoxy)phenyl] methanesulfinate
SMILESCS(=O)Oc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C8H7F3O3S/c1-15(12)14-7-4-2-6(3-5-7)13-8(9,10)11/h2-5H,1H3
InChIKeyDMYUYYLRVALTHV-UHFFFAOYSA-N
MW240.20 g/mol
LogP2.26
Rot. Bonds3

About [4-(trifluoromethoxy)phenyl] methanesulfinate

[4-(trifluoromethoxy)phenyl] methanesulfinate (PubChem CID 59940002) has the molecular formula C8H7F3O3S and a molecular weight of 240.20 g/mol. Its IUPAC name is [4-(trifluoromethoxy)phenyl] methanesulfinate.

Molecular Properties

Compound Name[4-(trifluoromethoxy)phenyl] methanesulfinate
PubChem CID59940002
Molecular FormulaC8H7F3O3S
Molecular Weight240.20 g/mol
Exact Mass240.01
IUPAC Name[4-(trifluoromethoxy)phenyl] methanesulfinate
SMILESCS(=O)Oc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C8H7F3O3S/c1-15(12)14-7-4-2-6(3-5-7)13-8(9,10)11/h2-5H,1H3
InChIKeyDMYUYYLRVALTHV-UHFFFAOYSA-N
XLogP2.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.20
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(trifluoromethoxy)phenyl] sulfite
CID 68538946
methane;1-methyl-4-(trifluoromethoxy)benzene
CID 160675977
methanamine;1-methyl-4-(trifluoromethoxy)benzene
CID 142968815
2-methylsulfinyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine
CID 115896100
2-methyl-2-[4-(trifluoromethoxy)phenoxy]propanoic acid
CID 141051034
(6-methyl-3-pyridinyl) methanesulfinate
CID 20719794
dimethyl-[4-(trifluoromethoxy)phenyl]-λ3-iodane
CID 162561670
tris[4-(trifluoromethoxy)phenyl] phosphate
CID 169101115
(NE,S)-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methylidene]propane-2-sulfinamide
CID 58570940
trifluoromethoxybenzene
CID 157402708
1-(trifluoromethoxy)-4-[[4-(trifluoromethoxy)phenyl]disulfanyl]benzene
CID 86088132
[4-(trifluoromethoxy)phenyl]phosphane;hydrochloride
CID 171933025

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethoxy)phenyl] methanesulfinate?
The IUPAC name of [4-(trifluoromethoxy)phenyl] methanesulfinate (CID 59940002) is [4-(trifluoromethoxy)phenyl] methanesulfinate.
What is the SMILES notation for [4-(trifluoromethoxy)phenyl] methanesulfinate?
The canonical SMILES for [4-(trifluoromethoxy)phenyl] methanesulfinate is CS(=O)Oc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of [4-(trifluoromethoxy)phenyl] methanesulfinate?
The InChIKey is DMYUYYLRVALTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3O3S/c1-15(12)14-7-4-2-6(3-5-7)13-8(9,10)11/h2-5H,1H3.
What are the key properties of [4-(trifluoromethoxy)phenyl] methanesulfinate?
[4-(trifluoromethoxy)phenyl] methanesulfinate has a molecular weight of 240.20 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethoxy)phenyl] methanesulfinate is sourced from PubChem (CID 59940002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).