CID 175447922

CH2F3LiNO4S2- — CID 175447922

IUPAC—
SMILESNS(=O)[O-].O=S([O-])C(F)(F)F.[Li+]
InChIInChI=1S/CHF3O2S.Li.H3NO2S/c2-1(3,4)7(5)6;;1-4(2)3/h(H,5,6);;1H2,(H,2,3)/q;+1;/p-2
InChIKeyMHHOYHOLXYYMPN-UHFFFAOYSA-L
MW220.10 g/mol
LogP-3.87
Rot. Bonds

About CID 175447922

CID 175447922 (PubChem CID 175447922) has the molecular formula CH2F3LiNO4S2- and a molecular weight of 220.10 g/mol.

Molecular Properties

Compound NameCID 175447922
PubChem CID175447922
Molecular FormulaCH2F3LiNO4S2-
Molecular Weight220.10 g/mol
Exact Mass219.95
IUPAC Name—
SMILESNS(=O)[O-].O=S([O-])C(F)(F)F.[Li+]
InChIInChI=1S/CHF3O2S.Li.H3NO2S/c2-1(3,4)7(5)6;;1-4(2)3/h(H,5,6);;1H2,(H,2,3)/q;+1;/p-2
InChIKeyMHHOYHOLXYYMPN-UHFFFAOYSA-L
XLogP-3.87
TPSA106.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.10
LogP ≤ 5-3.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tris(trifluoromethanesulfinate);ytterbium(3+)
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sulfuric acid;trifluoromethanesulfinate
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lithium;hydride;1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfinate
CID 174871743
sodium 1,1-difluoroethanesulfinate
CID 117065045
2-bromo-1,1,2,2-tetrafluoroethanesulfinate
CID 91807241
potassium;hydride;1,1,2,2,2-pentafluoroethanesulfinate
CID 174997119
1,1-diaminoethanesulfinate
CID 90404877
CID 21091239
CID 21091239
CID 89392401
CID 89392401
1,1,2,3,3-pentafluoroprop-2-ene-1-sulfinate
CID 174654581

Frequently Asked Questions

What is the IUPAC name of CID 175447922?
The IUPAC name of CID 175447922 (CID 175447922) is not available.
What is the SMILES notation for CID 175447922?
The canonical SMILES for CID 175447922 is NS(=O)[O-].O=S([O-])C(F)(F)F.[Li+].
What is the InChIKey of CID 175447922?
The InChIKey is MHHOYHOLXYYMPN-UHFFFAOYSA-L. The full InChI is InChI=1S/CHF3O2S.Li.H3NO2S/c2-1(3,4)7(5)6;;1-4(2)3/h(H,5,6);;1H2,(H,2,3)/q;+1;/p-2.
What are the key properties of CID 175447922?
CID 175447922 has a molecular weight of 220.10 g/mol, XLogP of -3.87, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175447922 is sourced from PubChem (CID 175447922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).