CID 160972181

C3H7F3O3SSi — CID 160972181

IUPAC—
SMILESC[Si]C.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C2H6Si.CHF3O3S/c1-3-2;2-1(3,4)8(5,6)7/h1-2H3;(H,5,6,7)
InChIKeySYKCQDXZCIYUFB-UHFFFAOYSA-N
MW208.23 g/mol
LogP1.18
Rot. Bonds

About CID 160972181

CID 160972181 (PubChem CID 160972181) has the molecular formula C3H7F3O3SSi and a molecular weight of 208.23 g/mol.

Molecular Properties

Compound NameCID 160972181
PubChem CID160972181
Molecular FormulaC3H7F3O3SSi
Molecular Weight208.23 g/mol
Exact Mass207.98
IUPAC Name—
SMILESC[Si]C.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C2H6Si.CHF3O3S/c1-3-2;2-1(3,4)8(5,6)7/h1-2H3;(H,5,6,7)
InChIKeySYKCQDXZCIYUFB-UHFFFAOYSA-N
XLogP1.18
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

hafnium;trifluoromethanesulfonic acid;hydrate
CID 174756468
bis(trifluoromethanesulfonic acid);zinc;hydrate
CID 175736701
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CID 87959782
methanethiol;trifluoromethanesulfonic acid
CID 171923949
osmium;bis(trifluoromethanesulfonic acid)
CID 174919112
trifluoromethanesulfonic acid;hydrofluoride
CID 87139590
platinum;trifluoromethanesulfonic acid
CID 87655055
bis(trifluoromethanesulfonic acid);ytterbium
CID 72641674
trifluoromethanesulfonic acid;zinc
CID 45051803
azane;osmium;tris(trifluoromethanesulfonic acid)
CID 85298772
strontium;hydride;trifluoromethanesulfonic acid
CID 173218356
methanesulfonyl chloride;trifluoromethanesulfonic acid
CID 174263970

Frequently Asked Questions

What is the IUPAC name of CID 160972181?
The IUPAC name of CID 160972181 (CID 160972181) is not available.
What is the SMILES notation for CID 160972181?
The canonical SMILES for CID 160972181 is C[Si]C.O=S(=O)(O)C(F)(F)F.
What is the InChIKey of CID 160972181?
The InChIKey is SYKCQDXZCIYUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6Si.CHF3O3S/c1-3-2;2-1(3,4)8(5,6)7/h1-2H3;(H,5,6,7).
What are the key properties of CID 160972181?
CID 160972181 has a molecular weight of 208.23 g/mol, XLogP of 1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160972181 is sourced from PubChem (CID 160972181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).