CID 139534706

C3H6F3LiNO3S — CID 139534706

IUPAC—
SMILESCOS(=O)(=O)NCC(F)(F)F.[Li]
InChIInChI=1S/C3H6F3NO3S.Li/c1-10-11(8,9)7-2-3(4,5)6;/h7H,2H2,1H3;
InChIKeyJHSMOSVDXNACHB-UHFFFAOYSA-N
MW200.09 g/mol
LogP-0.35
Rot. Bonds3

About CID 139534706

CID 139534706 (PubChem CID 139534706) has the molecular formula C3H6F3LiNO3S and a molecular weight of 200.09 g/mol.

Molecular Properties

Compound NameCID 139534706
PubChem CID139534706
Molecular FormulaC3H6F3LiNO3S
Molecular Weight200.09 g/mol
Exact Mass200.02
IUPAC Name—
SMILESCOS(=O)(=O)NCC(F)(F)F.[Li]
InChIInChI=1S/C3H6F3NO3S.Li/c1-10-11(8,9)7-2-3(4,5)6;/h7H,2H2,1H3;
InChIKeyJHSMOSVDXNACHB-UHFFFAOYSA-N
XLogP-0.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.09
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 139534706?
The IUPAC name of CID 139534706 (CID 139534706) is not available.
What is the SMILES notation for CID 139534706?
The canonical SMILES for CID 139534706 is COS(=O)(=O)NCC(F)(F)F.[Li].
What is the InChIKey of CID 139534706?
The InChIKey is JHSMOSVDXNACHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F3NO3S.Li/c1-10-11(8,9)7-2-3(4,5)6;/h7H,2H2,1H3;.
What are the key properties of CID 139534706?
CID 139534706 has a molecular weight of 200.09 g/mol, XLogP of -0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139534706 is sourced from PubChem (CID 139534706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).