CID 88849188

C4H2F9KNO2S — CID 88849188

IUPAC—
SMILESNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[K]
InChIInChI=1S/C4H2F9NO2S.K/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;/h(H2,14,15,16);
InChIKeyVXRNSSZOLMMPBY-UHFFFAOYSA-N
MW338.21 g/mol
LogP1.32
Rot. Bonds3

About CID 88849188

CID 88849188 (PubChem CID 88849188) has the molecular formula C4H2F9KNO2S and a molecular weight of 338.21 g/mol.

Molecular Properties

Compound NameCID 88849188
PubChem CID88849188
Molecular FormulaC4H2F9KNO2S
Molecular Weight338.21 g/mol
Exact Mass337.93
IUPAC Name—
SMILESNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[K]
InChIInChI=1S/C4H2F9NO2S.K/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;/h(H2,14,15,16);
InChIKeyVXRNSSZOLMMPBY-UHFFFAOYSA-N
XLogP1.32
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 88849188?
The IUPAC name of CID 88849188 (CID 88849188) is not available.
What is the SMILES notation for CID 88849188?
The canonical SMILES for CID 88849188 is NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[K].
What is the InChIKey of CID 88849188?
The InChIKey is VXRNSSZOLMMPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F9NO2S.K/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;/h(H2,14,15,16);.
What are the key properties of CID 88849188?
CID 88849188 has a molecular weight of 338.21 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88849188 is sourced from PubChem (CID 88849188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).