lithium 1-deuterio-3-fluoropropa-1,2-diene

C3H2FLi — CID 71661941

IUPAClithium 1-deuterio-3-fluoropropa-1,2-diene
SMILES[2H]C=C=[C-]F.[Li+]
InChIInChI=1S/C3H2F.Li/c1-2-3-4;/h1H2;/q-1;+1/i1D;
InChIKeyZGBYNMFZTAPPJR-RWQOXAPSSA-N
MW64.99 g/mol
LogP-1.94
Rot. Bonds

About lithium 1-deuterio-3-fluoropropa-1,2-diene

lithium 1-deuterio-3-fluoropropa-1,2-diene (PubChem CID 71661941) has the molecular formula C3H2FLi and a molecular weight of 64.99 g/mol. Its IUPAC name is lithium 1-deuterio-3-fluoropropa-1,2-diene.

Molecular Properties

Compound Namelithium 1-deuterio-3-fluoropropa-1,2-diene
PubChem CID71661941
Molecular FormulaC3H2FLi
Molecular Weight64.99 g/mol
Exact Mass65.04
IUPAC Namelithium 1-deuterio-3-fluoropropa-1,2-diene
SMILES[2H]C=C=[C-]F.[Li+]
InChIInChI=1S/C3H2F.Li/c1-2-3-4;/h1H2;/q-1;+1/i1D;
InChIKeyZGBYNMFZTAPPJR-RWQOXAPSSA-N
XLogP-1.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50064.99
LogP ≤ 5-1.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 lithium 1-deuterio-3-fluoropropa-1,2-diene?
The IUPAC name of lithium 1-deuterio-3-fluoropropa-1,2-diene (CID 71661941) is lithium 1-deuterio-3-fluoropropa-1,2-diene.
What is the SMILES notation for lithium 1-deuterio-3-fluoropropa-1,2-diene?
The canonical SMILES for lithium 1-deuterio-3-fluoropropa-1,2-diene is [2H]C=C=[C-]F.[Li+].
What is the InChIKey of lithium 1-deuterio-3-fluoropropa-1,2-diene?
The InChIKey is ZGBYNMFZTAPPJR-RWQOXAPSSA-N. The full InChI is InChI=1S/C3H2F.Li/c1-2-3-4;/h1H2;/q-1;+1/i1D;.
What are the key properties of lithium 1-deuterio-3-fluoropropa-1,2-diene?
lithium 1-deuterio-3-fluoropropa-1,2-diene has a molecular weight of 64.99 g/mol, XLogP of -1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-deuterio-3-fluoropropa-1,2-diene is sourced from PubChem (CID 71661941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).