trifluoride;trihydrate

H6F3O3-3 — CID 22002993

IUPACtrifluoride;trihydrate
SMILESO.O.O.[F-].[F-].[F-]
InChIInChI=1S/3FH.3H2O/h3*1H;3*1H2/p-3
InChIKeyBBLCEALGQFCCKJ-UHFFFAOYSA-K
MW111.04 g/mol
LogP-11.46
Rot. Bonds

About trifluoride;trihydrate

trifluoride;trihydrate (PubChem CID 22002993) has the molecular formula H6F3O3-3 and a molecular weight of 111.04 g/mol. Its IUPAC name is trifluoride;trihydrate.

Molecular Properties

Compound Nametrifluoride;trihydrate
PubChem CID22002993
Molecular FormulaH6F3O3-3
Molecular Weight111.04 g/mol
Exact Mass111.03
IUPAC Nametrifluoride;trihydrate
SMILESO.O.O.[F-].[F-].[F-]
InChIInChI=1S/3FH.3H2O/h3*1H;3*1H2/p-3
InChIKeyBBLCEALGQFCCKJ-UHFFFAOYSA-K
XLogP-11.46
TPSA94.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.04
LogP ≤ 5-11.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze trifluoride;trihydrate 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

Iron(III) fluoride trihydrate
CID 44890702
Aluminium fluoride trihydrate
CID 22002992
Trifluoroalumane;trihydrate
CID 16211015
Chromium(III) fluoride trihydrate
CID 21330797
Indium(III) fluoride trihydrate
CID 53442955
Cupric fluoride dihydrate
CID 24884278
Gallium trifluoride trihydrate
CID 71587050
Copper(II) fluoride hydrate
CID 91886633
Copper difluoride trihydrate
CID 91886634
ZINC fluoride dihydrate
CID 129696455
Fluorine dihydrate
CID 129809360
Vanadium trifluoride trihydrate
CID 71586934

Frequently Asked Questions

What is the IUPAC name of trifluoride;trihydrate?
The IUPAC name of trifluoride;trihydrate (CID 22002993) is trifluoride;trihydrate.
What is the SMILES notation for trifluoride;trihydrate?
The canonical SMILES for trifluoride;trihydrate is O.O.O.[F-].[F-].[F-].
What is the InChIKey of trifluoride;trihydrate?
The InChIKey is BBLCEALGQFCCKJ-UHFFFAOYSA-K. The full InChI is InChI=1S/3FH.3H2O/h3*1H;3*1H2/p-3.
What are the key properties of trifluoride;trihydrate?
trifluoride;trihydrate has a molecular weight of 111.04 g/mol, XLogP of -11.46, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoride;trihydrate is sourced from PubChem (CID 22002993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).