CID 172717056

CF3O2S2- — CID 172717056

IUPAC—
SMILESO=[S-](=S)OC(F)(F)F
InChIInChI=1S/CF3O2S2/c2-1(3,4)6-8(5)7/q-1
InChIKeyQXSOQGRVPYNLHA-UHFFFAOYSA-N
MW165.14 g/mol
LogP0.86
Rot. Bonds1

About CID 172717056

CID 172717056 (PubChem CID 172717056) has the molecular formula CF3O2S2- and a molecular weight of 165.14 g/mol.

Molecular Properties

Compound NameCID 172717056
PubChem CID172717056
Molecular FormulaCF3O2S2-
Molecular Weight165.14 g/mol
Exact Mass164.93
IUPAC Name—
SMILESO=[S-](=S)OC(F)(F)F
InChIInChI=1S/CF3O2S2/c2-1(3,4)6-8(5)7/q-1
InChIKeyQXSOQGRVPYNLHA-UHFFFAOYSA-N
XLogP0.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.14
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 172717056?
The IUPAC name of CID 172717056 (CID 172717056) is not available.
What is the SMILES notation for CID 172717056?
The canonical SMILES for CID 172717056 is O=[S-](=S)OC(F)(F)F.
What is the InChIKey of CID 172717056?
The InChIKey is QXSOQGRVPYNLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/CF3O2S2/c2-1(3,4)6-8(5)7/q-1.
What are the key properties of CID 172717056?
CID 172717056 has a molecular weight of 165.14 g/mol, XLogP of 0.86, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172717056 is sourced from PubChem (CID 172717056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).