CID 134969921

C11H6F3LiO — CID 134969921

IUPAC—
SMILESFC(F)(F)c1ccc2c(c1)C1[C-]=CC2O1.[Li+]
InChIInChI=1S/C11H6F3O.Li/c12-11(13,14)6-1-2-7-8(5-6)10-4-3-9(7)15-10;/h1-3,5,9-10H;/q-1;+1
InChIKeyBCKJBXCPUCUNHT-UHFFFAOYSA-N
MW218.10 g/mol
LogP0.19
Rot. Bonds

About CID 134969921

CID 134969921 (PubChem CID 134969921) has the molecular formula C11H6F3LiO and a molecular weight of 218.10 g/mol.

Molecular Properties

Compound NameCID 134969921
PubChem CID134969921
Molecular FormulaC11H6F3LiO
Molecular Weight218.10 g/mol
Exact Mass218.05
IUPAC Name—
SMILESFC(F)(F)c1ccc2c(c1)C1[C-]=CC2O1.[Li+]
InChIInChI=1S/C11H6F3O.Li/c12-11(13,14)6-1-2-7-8(5-6)10-4-3-9(7)15-10;/h1-3,5,9-10H;/q-1;+1
InChIKeyBCKJBXCPUCUNHT-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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Related Compounds

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6-Fluoro-1,4-dihydro-1,4-epoxynaphthalene
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Frequently Asked Questions

What is the IUPAC name of CID 134969921?
The IUPAC name of CID 134969921 (CID 134969921) is not available.
What is the SMILES notation for CID 134969921?
The canonical SMILES for CID 134969921 is FC(F)(F)c1ccc2c(c1)C1[C-]=CC2O1.[Li+].
What is the InChIKey of CID 134969921?
The InChIKey is BCKJBXCPUCUNHT-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;/h1-3,5,9-10H;/q-1;+1.
What are the key properties of CID 134969921?
CID 134969921 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 134969921 is sourced from PubChem (CID 134969921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).