sodium;hydride;3,3,3-trichloropropanoic acid

C3H4Cl3NaO2 — CID 175000936

IUPACsodium;hydride;3,3,3-trichloropropanoic acid
SMILESO=C(O)CC(Cl)(Cl)Cl.[H-].[Na+]
InChIInChI=1S/C3H3Cl3O2.Na.H/c4-3(5,6)1-2(7)8;;/h1H2,(H,7,8);;/q;+1;-1
InChIKeyUCZNMWHHEQLXQD-UHFFFAOYSA-N
MW201.41 g/mol
LogP-1.05
Rot. Bonds1

About sodium;hydride;3,3,3-trichloropropanoic acid

sodium;hydride;3,3,3-trichloropropanoic acid (PubChem CID 175000936) has the molecular formula C3H4Cl3NaO2 and a molecular weight of 201.41 g/mol. Its IUPAC name is sodium;hydride;3,3,3-trichloropropanoic acid.

Molecular Properties

Compound Namesodium;hydride;3,3,3-trichloropropanoic acid
PubChem CID175000936
Molecular FormulaC3H4Cl3NaO2
Molecular Weight201.41 g/mol
Exact Mass199.92
IUPAC Namesodium;hydride;3,3,3-trichloropropanoic acid
SMILESO=C(O)CC(Cl)(Cl)Cl.[H-].[Na+]
InChIInChI=1S/C3H3Cl3O2.Na.H/c4-3(5,6)1-2(7)8;;/h1H2,(H,7,8);;/q;+1;-1
InChIKeyUCZNMWHHEQLXQD-UHFFFAOYSA-N
XLogP-1.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.41
LogP ≤ 5-1.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze sodium;hydride;3,3,3-trichloropropanoic acid 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

3,3,3-trichloropropanoic acid;hydrate
CID 87720469
ethoxyethane;3,3,3-trichloropropanoic acid
CID 88517444
1,1,1,6,6,6-hexachlorohexane-3,4-dione
CID 139930599
3,3-dichlorobutanoic acid
CID 56997062
pentasodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 175539982
sodium;2-chlorooxypropane-1,2,3-tricarboxylic acid;hydride
CID 173100482
sodium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);iron
CID 174482956
sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;heptahydrate
CID 173006501
trisodium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);dihydrate
CID 173025138
CID 173238603
CID 173238603
sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;iron
CID 173003621
sodium;azane;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid)
CID 173264516

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;3,3,3-trichloropropanoic acid?
The IUPAC name of sodium;hydride;3,3,3-trichloropropanoic acid (CID 175000936) is sodium;hydride;3,3,3-trichloropropanoic acid.
What is the SMILES notation for sodium;hydride;3,3,3-trichloropropanoic acid?
The canonical SMILES for sodium;hydride;3,3,3-trichloropropanoic acid is O=C(O)CC(Cl)(Cl)Cl.[H-].[Na+].
What is the InChIKey of sodium;hydride;3,3,3-trichloropropanoic acid?
The InChIKey is UCZNMWHHEQLXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3Cl3O2.Na.H/c4-3(5,6)1-2(7)8;;/h1H2,(H,7,8);;/q;+1;-1.
What are the key properties of sodium;hydride;3,3,3-trichloropropanoic acid?
sodium;hydride;3,3,3-trichloropropanoic acid has a molecular weight of 201.41 g/mol, XLogP of -1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;3,3,3-trichloropropanoic acid is sourced from PubChem (CID 175000936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).