CID 59497995

C4HF3N2O2S — CID 59497995

IUPAC—
SMILES[CH]c1nnc(SOC(F)(F)F)o1
InChIInChI=1S/C4HF3N2O2S/c1-2-8-9-3(10-2)12-11-4(5,6)7/h1H
InChIKeyZFABFFQEOMAMTK-UHFFFAOYSA-N
MW198.12 g/mol
LogP1.67
Rot. Bonds2

About CID 59497995

CID 59497995 (PubChem CID 59497995) has the molecular formula C4HF3N2O2S and a molecular weight of 198.12 g/mol.

Molecular Properties

Compound NameCID 59497995
PubChem CID59497995
Molecular FormulaC4HF3N2O2S
Molecular Weight198.12 g/mol
Exact Mass197.97
IUPAC Name—
SMILES[CH]c1nnc(SOC(F)(F)F)o1
InChIInChI=1S/C4HF3N2O2S/c1-2-8-9-3(10-2)12-11-4(5,6)7/h1H
InChIKeyZFABFFQEOMAMTK-UHFFFAOYSA-N
XLogP1.67
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.12
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59497995?
The IUPAC name of CID 59497995 (CID 59497995) is not available.
What is the SMILES notation for CID 59497995?
The canonical SMILES for CID 59497995 is [CH]c1nnc(SOC(F)(F)F)o1.
What is the InChIKey of CID 59497995?
The InChIKey is ZFABFFQEOMAMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF3N2O2S/c1-2-8-9-3(10-2)12-11-4(5,6)7/h1H.
What are the key properties of CID 59497995?
CID 59497995 has a molecular weight of 198.12 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59497995 is sourced from PubChem (CID 59497995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).