CID 87905698

C2H2F5LiNO2S — CID 87905698

IUPAC—
SMILESNS(=O)(=O)C(F)(F)C(F)(F)F.[Li]
InChIInChI=1S/C2H2F5NO2S.Li/c3-1(4,5)2(6,7)11(8,9)10;/h(H2,8,9,10);
InChIKeyGVJBHJQTOZANDA-UHFFFAOYSA-N
MW206.04 g/mol
LogP0.05
Rot. Bonds1

About CID 87905698

CID 87905698 (PubChem CID 87905698) has the molecular formula C2H2F5LiNO2S and a molecular weight of 206.04 g/mol.

Molecular Properties

Compound NameCID 87905698
PubChem CID87905698
Molecular FormulaC2H2F5LiNO2S
Molecular Weight206.04 g/mol
Exact Mass205.99
IUPAC Name—
SMILESNS(=O)(=O)C(F)(F)C(F)(F)F.[Li]
InChIInChI=1S/C2H2F5NO2S.Li/c3-1(4,5)2(6,7)11(8,9)10;/h(H2,8,9,10);
InChIKeyGVJBHJQTOZANDA-UHFFFAOYSA-N
XLogP0.05
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.04
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Perfluorobutane sulfonamide
CID 10958205
Pentafluoroethanesulfonamide
CID 11252905
Heptafluoropropane-1-sulfonamide
CID 21692167
Pentafluoroethylsulfonyl(trifluoromethylsulfonyl)amine
CID 57680057
1,1,1,2,3,3,3-Heptafluoropropane-2-sulfonamide
CID 12522024
Lithium;1,1,2,2,2-pentafluoroethanesulfonate
CID 23675225
CID 87357626
CID 87357626
Azanium;1,1,2,2,2-pentafluoroethanesulfonate
CID 87471291
Lithium fluoro 1,2,2,2-tetrafluoroethanesulfonate
CID 87576337
N,N,1,1,2,2,2-heptafluoroethanesulfonamide
CID 87765728
N,1,1,2,2,2-hexafluoroethanesulfonamide
CID 87788327
1,1,2,2,2-pentafluoro-N-(trifluoromethyl)ethanesulfonamide
CID 87836872

Frequently Asked Questions

What is the IUPAC name of CID 87905698?
The IUPAC name of CID 87905698 (CID 87905698) is not available.
What is the SMILES notation for CID 87905698?
The canonical SMILES for CID 87905698 is NS(=O)(=O)C(F)(F)C(F)(F)F.[Li].
What is the InChIKey of CID 87905698?
The InChIKey is GVJBHJQTOZANDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2F5NO2S.Li/c3-1(4,5)2(6,7)11(8,9)10;/h(H2,8,9,10);.
What are the key properties of CID 87905698?
CID 87905698 has a molecular weight of 206.04 g/mol, XLogP of 0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87905698 is sourced from PubChem (CID 87905698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).