lithium;4-fluoroaniline;hydride

C6H7FLiN — CID 173323574

IUPAClithium;4-fluoroaniline;hydride
SMILESNc1ccc(F)cc1.[H-].[Li+]
InChIInChI=1S/C6H6FN.Li.H/c7-5-1-3-6(8)4-2-5;;/h1-4H,8H2;;/q;+1;-1
InChIKeyHOFXAKXYJXBDDY-UHFFFAOYSA-N
MW119.07 g/mol
LogP-1.48
Rot. Bonds

About lithium;4-fluoroaniline;hydride

lithium;4-fluoroaniline;hydride (PubChem CID 173323574) has the molecular formula C6H7FLiN and a molecular weight of 119.07 g/mol. Its IUPAC name is lithium;4-fluoroaniline;hydride.

Molecular Properties

Compound Namelithium;4-fluoroaniline;hydride
PubChem CID173323574
Molecular FormulaC6H7FLiN
Molecular Weight119.07 g/mol
Exact Mass119.07
IUPAC Namelithium;4-fluoroaniline;hydride
SMILESNc1ccc(F)cc1.[H-].[Li+]
InChIInChI=1S/C6H6FN.Li.H/c7-5-1-3-6(8)4-2-5;;/h1-4H,8H2;;/q;+1;-1
InChIKeyHOFXAKXYJXBDDY-UHFFFAOYSA-N
XLogP-1.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.07
LogP ≤ 5-1.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium;4-fluoroaniline;hydride?
The IUPAC name of lithium;4-fluoroaniline;hydride (CID 173323574) is lithium;4-fluoroaniline;hydride.
What is the SMILES notation for lithium;4-fluoroaniline;hydride?
The canonical SMILES for lithium;4-fluoroaniline;hydride is Nc1ccc(F)cc1.[H-].[Li+].
What is the InChIKey of lithium;4-fluoroaniline;hydride?
The InChIKey is HOFXAKXYJXBDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FN.Li.H/c7-5-1-3-6(8)4-2-5;;/h1-4H,8H2;;/q;+1;-1.
What are the key properties of lithium;4-fluoroaniline;hydride?
lithium;4-fluoroaniline;hydride has a molecular weight of 119.07 g/mol, XLogP of -1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;4-fluoroaniline;hydride is sourced from PubChem (CID 173323574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).