trifluoromethoxymethanethiol

C2H3F3OS — CID 87205661

IUPACtrifluoromethoxymethanethiol
SMILESFC(F)(F)OCS
InChIInChI=1S/C2H3F3OS/c3-2(4,5)6-1-7/h7H,1H2
InChIKeyJBSPRRNUNYRTBF-UHFFFAOYSA-N
MW132.11 g/mol
LogP1.41
Rot. Bonds1

About trifluoromethoxymethanethiol

trifluoromethoxymethanethiol (PubChem CID 87205661) has the molecular formula C2H3F3OS and a molecular weight of 132.11 g/mol. Its IUPAC name is trifluoromethoxymethanethiol.

Molecular Properties

Compound Nametrifluoromethoxymethanethiol
PubChem CID87205661
Molecular FormulaC2H3F3OS
Molecular Weight132.11 g/mol
Exact Mass131.99
IUPAC Nametrifluoromethoxymethanethiol
SMILESFC(F)(F)OCS
InChIInChI=1S/C2H3F3OS/c3-2(4,5)6-1-7/h7H,1H2
InChIKeyJBSPRRNUNYRTBF-UHFFFAOYSA-N
XLogP1.41
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.11
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-fluoro-2-(trifluoromethoxy)ethane
CID 11137203
1-bromo-2-(trifluoromethoxy)ethane
CID 12846025
trifluoro(trifluoromethoxymethylsulfinylmethoxy)methane
CID 150813617
sulfanylmethyl hypofluorite
CID 173496038
1,1,2-trifluoro-3-(trifluoromethoxy)propane
CID 19063472
1-ethoxy-2-(trifluoromethoxy)ethane
CID 87162422
2-(trifluoromethoxy)ethylurea
CID 131225743
2-[2-[2-(trifluoromethoxy)ethoxy]ethoxy]ethanamine
CID 118166069
trifluoromethoxymethylcyclobutane
CID 142528063
1,1,1,2,2-pentafluoro-5-(trifluoromethoxy)pentane
CID 98454426
2-[2-[2-[2-[2-[2-[2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 87962510
2-(trifluoromethoxy)ethyl dihydrogen phosphite
CID 175196611

Frequently Asked Questions

What is the IUPAC name of trifluoromethoxymethanethiol?
The IUPAC name of trifluoromethoxymethanethiol (CID 87205661) is trifluoromethoxymethanethiol.
What is the SMILES notation for trifluoromethoxymethanethiol?
The canonical SMILES for trifluoromethoxymethanethiol is FC(F)(F)OCS.
What is the InChIKey of trifluoromethoxymethanethiol?
The InChIKey is JBSPRRNUNYRTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3F3OS/c3-2(4,5)6-1-7/h7H,1H2.
What are the key properties of trifluoromethoxymethanethiol?
trifluoromethoxymethanethiol has a molecular weight of 132.11 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethoxymethanethiol is sourced from PubChem (CID 87205661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).