lithium;hydride;1,1,1-trifluoropentane-2,4-dione

C5H6F3LiO2 — CID 173192040

IUPAClithium;hydride;1,1,1-trifluoropentane-2,4-dione
SMILESCC(=O)CC(=O)C(F)(F)F.[H-].[Li+]
InChIInChI=1S/C5H5F3O2.Li.H/c1-3(9)2-4(10)5(6,7)8;;/h2H2,1H3;;/q;+1;-1
InChIKeyZJBXVQKLHAMXDH-UHFFFAOYSA-N
MW162.04 g/mol
LogP-1.79
Rot. Bonds2

About lithium;hydride;1,1,1-trifluoropentane-2,4-dione

lithium;hydride;1,1,1-trifluoropentane-2,4-dione (PubChem CID 173192040) has the molecular formula C5H6F3LiO2 and a molecular weight of 162.04 g/mol. Its IUPAC name is lithium;hydride;1,1,1-trifluoropentane-2,4-dione.

Molecular Properties

Compound Namelithium;hydride;1,1,1-trifluoropentane-2,4-dione
PubChem CID173192040
Molecular FormulaC5H6F3LiO2
Molecular Weight162.04 g/mol
Exact Mass162.05
IUPAC Namelithium;hydride;1,1,1-trifluoropentane-2,4-dione
SMILESCC(=O)CC(=O)C(F)(F)F.[H-].[Li+]
InChIInChI=1S/C5H5F3O2.Li.H/c1-3(9)2-4(10)5(6,7)8;;/h2H2,1H3;;/q;+1;-1
InChIKeyZJBXVQKLHAMXDH-UHFFFAOYSA-N
XLogP-1.79
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.04
LogP ≤ 5-1.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze lithium;hydride;1,1,1-trifluoropentane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 158271114
CID 158271114
samarium;1,1,1-trifluoropentane-2,4-dione
CID 174544017
1,1,1-trifluoropentane-2,4-dione;zirconium
CID 87257091
methane;1,1,1-trifluoropentane-2,4-dione
CID 160600044
calcium;1,1,1,5,5,5-hexafluoropentane-2,4-dione;hydride
CID 173351670
copper;1,1,1,5,5,5-hexafluoropentane-2,4-dione
CID 15360935
pentane-2,4-dione;2,2,2-trifluoroacetic acid
CID 161201748
5-ethyl-5-(trifluoromethyl)heptane-2,4-dione
CID 158196013
6-fluoro-5,5-dimethylhexane-2,4-dione
CID 151716617
methanol;1,1,1-trifluoropropan-2-one
CID 143449036
Lithium pentane-2,4-dione
CID 86735745
europium;1,1,1-trifluoroheptane-2,4-dione
CID 159104336

Frequently Asked Questions

What is the IUPAC name of lithium;hydride;1,1,1-trifluoropentane-2,4-dione?
The IUPAC name of lithium;hydride;1,1,1-trifluoropentane-2,4-dione (CID 173192040) is lithium;hydride;1,1,1-trifluoropentane-2,4-dione.
What is the SMILES notation for lithium;hydride;1,1,1-trifluoropentane-2,4-dione?
The canonical SMILES for lithium;hydride;1,1,1-trifluoropentane-2,4-dione is CC(=O)CC(=O)C(F)(F)F.[H-].[Li+].
What is the InChIKey of lithium;hydride;1,1,1-trifluoropentane-2,4-dione?
The InChIKey is ZJBXVQKLHAMXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3O2.Li.H/c1-3(9)2-4(10)5(6,7)8;;/h2H2,1H3;;/q;+1;-1.
What are the key properties of lithium;hydride;1,1,1-trifluoropentane-2,4-dione?
lithium;hydride;1,1,1-trifluoropentane-2,4-dione has a molecular weight of 162.04 g/mol, XLogP of -1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;1,1,1-trifluoropentane-2,4-dione is sourced from PubChem (CID 173192040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).