CID 21091239

C6H4F2NO2S- — CID 21091239

IUPAC—
SMILESFc1c(F)c2ccc1=2.NS(=O)[O-]
InChIInChI=1S/C6H2F2.H3NO2S/c7-5-3-1-2-4(3)6(5)8;1-4(2)3/h1-2H;1H2,(H,2,3)/p-1
InChIKeyUIRTVNXHFOOZSC-UHFFFAOYSA-M
MW192.17 g/mol
LogP0.30
Rot. Bonds

About CID 21091239

CID 21091239 (PubChem CID 21091239) has the molecular formula C6H4F2NO2S- and a molecular weight of 192.17 g/mol.

Molecular Properties

Compound NameCID 21091239
PubChem CID21091239
Molecular FormulaC6H4F2NO2S-
Molecular Weight192.17 g/mol
Exact Mass191.99
IUPAC Name—
SMILESFc1c(F)c2ccc1=2.NS(=O)[O-]
InChIInChI=1S/C6H2F2.H3NO2S/c7-5-3-1-2-4(3)6(5)8;1-4(2)3/h1-2H;1H2,(H,2,3)/p-1
InChIKeyUIRTVNXHFOOZSC-UHFFFAOYSA-M
XLogP0.30
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 21091239?
The IUPAC name of CID 21091239 (CID 21091239) is not available.
What is the SMILES notation for CID 21091239?
The canonical SMILES for CID 21091239 is Fc1c(F)c2ccc1=2.NS(=O)[O-].
What is the InChIKey of CID 21091239?
The InChIKey is UIRTVNXHFOOZSC-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H2F2.H3NO2S/c7-5-3-1-2-4(3)6(5)8;1-4(2)3/h1-2H;1H2,(H,2,3)/p-1.
What are the key properties of CID 21091239?
CID 21091239 has a molecular weight of 192.17 g/mol, XLogP of 0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21091239 is sourced from PubChem (CID 21091239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).