CID 134853763

C11H6F3LiO — CID 134853763

IUPAC—
SMILESFC(F)(F)c1ccc2c(c1)C1C=[C-]C2O1.[Li+]
InChIInChI=1S/C11H6F3O.Li/c12-11(13,14)6-1-2-7-8(5-6)10-4-3-9(7)15-10;/h1-2,4-5,9-10H;/q-1;+1
InChIKeySDGVUKCLQINMJD-UHFFFAOYSA-N
MW218.10 g/mol
LogP0.19
Rot. Bonds

About CID 134853763

CID 134853763 (PubChem CID 134853763) has the molecular formula C11H6F3LiO and a molecular weight of 218.10 g/mol.

Molecular Properties

Compound NameCID 134853763
PubChem CID134853763
Molecular FormulaC11H6F3LiO
Molecular Weight218.10 g/mol
Exact Mass218.05
IUPAC Name—
SMILESFC(F)(F)c1ccc2c(c1)C1C=[C-]C2O1.[Li+]
InChIInChI=1S/C11H6F3O.Li/c12-11(13,14)6-1-2-7-8(5-6)10-4-3-9(7)15-10;/h1-2,4-5,9-10H;/q-1;+1
InChIKeySDGVUKCLQINMJD-UHFFFAOYSA-N
XLogP0.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.10
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 134853763?
The IUPAC name of CID 134853763 (CID 134853763) is not available.
What is the SMILES notation for CID 134853763?
The canonical SMILES for CID 134853763 is FC(F)(F)c1ccc2c(c1)C1C=[C-]C2O1.[Li+].
What is the InChIKey of CID 134853763?
The InChIKey is SDGVUKCLQINMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3O.Li/c12-11(13,14)6-1-2-7-8(5-6)10-4-3-9(7)15-10;/h1-2,4-5,9-10H;/q-1;+1.
What are the key properties of CID 134853763?
CID 134853763 has a molecular weight of 218.10 g/mol, XLogP of 0.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134853763 is sourced from PubChem (CID 134853763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).