dihydroxy-methoxy-(2,2,2-trifluoroethyl)-λ4-sulfane

C3H7F3O3S — CID 59787593

IUPACdihydroxy-methoxy-(2,2,2-trifluoroethyl)-λ4-sulfane
SMILESCOS(O)(O)CC(F)(F)F
InChIInChI=1S/C3H7F3O3S/c1-9-10(7,8)2-3(4,5)6/h7-8H,2H2,1H3
InChIKeyWVZSANUWGOLDFU-UHFFFAOYSA-N
MW180.15 g/mol
LogP1.86
Rot. Bonds2

About dihydroxy-methoxy-(2,2,2-trifluoroethyl)-λ4-sulfane

dihydroxy-methoxy-(2,2,2-trifluoroethyl)-λ4-sulfane (PubChem CID 59787593) has the molecular formula C3H7F3O3S and a molecular weight of 180.15 g/mol. Its IUPAC name is dihydroxy-methoxy-(2,2,2-trifluoroethyl)-λ4-sulfane.

Molecular Properties

Compound Namedihydroxy-methoxy-(2,2,2-trifluoroethyl)-λ4-sulfane
PubChem CID59787593
Molecular FormulaC3H7F3O3S
Molecular Weight180.15 g/mol
Exact Mass180.01
IUPAC Namedihydroxy-methoxy-(2,2,2-trifluoroethyl)-λ4-sulfane
SMILESCOS(O)(O)CC(F)(F)F
InChIInChI=1S/C3H7F3O3S/c1-9-10(7,8)2-3(4,5)6/h7-8H,2H2,1H3
InChIKeyWVZSANUWGOLDFU-UHFFFAOYSA-N
XLogP1.86
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.15
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of dihydroxy-methoxy-(2,2,2-trifluoroethyl)-λ4-sulfane?
The IUPAC name of dihydroxy-methoxy-(2,2,2-trifluoroethyl)-λ4-sulfane (CID 59787593) is dihydroxy-methoxy-(2,2,2-trifluoroethyl)-λ4-sulfane.
What is the SMILES notation for dihydroxy-methoxy-(2,2,2-trifluoroethyl)-λ4-sulfane?
The canonical SMILES for dihydroxy-methoxy-(2,2,2-trifluoroethyl)-λ4-sulfane is COS(O)(O)CC(F)(F)F.
What is the InChIKey of dihydroxy-methoxy-(2,2,2-trifluoroethyl)-λ4-sulfane?
The InChIKey is WVZSANUWGOLDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7F3O3S/c1-9-10(7,8)2-3(4,5)6/h7-8H,2H2,1H3.
What are the key properties of dihydroxy-methoxy-(2,2,2-trifluoroethyl)-λ4-sulfane?
dihydroxy-methoxy-(2,2,2-trifluoroethyl)-λ4-sulfane has a molecular weight of 180.15 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-methoxy-(2,2,2-trifluoroethyl)-λ4-sulfane is sourced from PubChem (CID 59787593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).