CID 139245743

C6H5BrF3Li — CID 139245743

IUPAC—
SMILESFC(F)(F)C1[C]C12CC2.[Br-].[Li+]
InChIInChI=1S/C6H5F3.BrH.Li/c7-6(8,9)4-3-5(4)1-2-5;;/h4H,1-2H2;1H;/q;;+1/p-1
InChIKeyHVAQFNOTSLRBRE-UHFFFAOYSA-M
MW220.94 g/mol
LogP-3.95
Rot. Bonds

About CID 139245743

CID 139245743 (PubChem CID 139245743) has the molecular formula C6H5BrF3Li and a molecular weight of 220.94 g/mol.

Molecular Properties

Compound NameCID 139245743
PubChem CID139245743
Molecular FormulaC6H5BrF3Li
Molecular Weight220.94 g/mol
Exact Mass219.97
IUPAC Name—
SMILESFC(F)(F)C1[C]C12CC2.[Br-].[Li+]
InChIInChI=1S/C6H5F3.BrH.Li/c7-6(8,9)4-3-5(4)1-2-5;;/h4H,1-2H2;1H;/q;;+1/p-1
InChIKeyHVAQFNOTSLRBRE-UHFFFAOYSA-M
XLogP-3.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.94
LogP ≤ 5-3.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 139245743?
The IUPAC name of CID 139245743 (CID 139245743) is not available.
What is the SMILES notation for CID 139245743?
The canonical SMILES for CID 139245743 is FC(F)(F)C1[C]C12CC2.[Br-].[Li+].
What is the InChIKey of CID 139245743?
The InChIKey is HVAQFNOTSLRBRE-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5F3.BrH.Li/c7-6(8,9)4-3-5(4)1-2-5;;/h4H,1-2H2;1H;/q;;+1/p-1.
What are the key properties of CID 139245743?
CID 139245743 has a molecular weight of 220.94 g/mol, XLogP of -3.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139245743 is sourced from PubChem (CID 139245743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).