dipotassium;2-bromoethanol;3-chlorophenol;2-(3-chlorophenoxy)ethanol;deuterio(fluoro)methane;hydride;oxido formate

C18H24BrCl2FK2O7 — CID 161054810

IUPACdipotassium;2-bromoethanol;3-chlorophenol;2-(3-chlorophenoxy)ethanol;deuterio(fluoro)methane;hydride;oxido formate
SMILESO=CO[O-].OCCBr.OCCOc1cccc(Cl)c1.Oc1cccc(Cl)c1.[2H]CF.[H-].[K+].[K+]
InChIInChI=1S/C8H9ClO2.C6H5ClO.C2H5BrO.CH3F.CH2O3.2K.H/c9-7-2-1-3-8(6-7)11-5-4-10;7-5-2-1-3-6(8)4-5;3-1-2-4;1-2;2-1-4-3;;;/h1-3,6,10H,4-5H2;1-4,8H;4H,1-2H2;1H3;1,3H;;;/q;;;;;2*+1;-1/p-1/i;;;1D;;;;
InChIKeyKDHSZOAJKKZEGB-SPWDEMCOSA-M
MW601.39 g/mol
LogP-2.73
Rot. Bonds5

About dipotassium;2-bromoethanol;3-chlorophenol;2-(3-chlorophenoxy)ethanol;deuterio(fluoro)methane;hydride;oxido formate

dipotassium;2-bromoethanol;3-chlorophenol;2-(3-chlorophenoxy)ethanol;deuterio(fluoro)methane;hydride;oxido formate (PubChem CID 161054810) has the molecular formula C18H24BrCl2FK2O7 and a molecular weight of 601.39 g/mol. Its IUPAC name is dipotassium;2-bromoethanol;3-chlorophenol;2-(3-chlorophenoxy)ethanol;deuterio(fluoro)methane;hydride;oxido formate.

Molecular Properties

Compound Namedipotassium;2-bromoethanol;3-chlorophenol;2-(3-chlorophenoxy)ethanol;deuterio(fluoro)methane;hydride;oxido formate
PubChem CID161054810
Molecular FormulaC18H24BrCl2FK2O7
Molecular Weight601.39 g/mol
Exact Mass598.94
IUPAC Namedipotassium;2-bromoethanol;3-chlorophenol;2-(3-chlorophenoxy)ethanol;deuterio(fluoro)methane;hydride;oxido formate
SMILESO=CO[O-].OCCBr.OCCOc1cccc(Cl)c1.Oc1cccc(Cl)c1.[2H]CF.[H-].[K+].[K+]
InChIInChI=1S/C8H9ClO2.C6H5ClO.C2H5BrO.CH3F.CH2O3.2K.H/c9-7-2-1-3-8(6-7)11-5-4-10;7-5-2-1-3-6(8)4-5;3-1-2-4;1-2;2-1-4-3;;;/h1-3,6,10H,4-5H2;1-4,8H;4H,1-2H2;1H3;1,3H;;;/q;;;;;2*+1;-1/p-1/i;;;1D;;;;
InChIKeyKDHSZOAJKKZEGB-SPWDEMCOSA-M
XLogP-2.73
TPSA119.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500601.39
LogP ≤ 5-2.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze dipotassium;2-bromoethanol;3-chlorophenol;2-(3-chlorophenoxy)ethanol;deuterio(fluoro)methane;hydride;oxido formate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dipotassium;2-bromoethanol;3-chlorophenol;2-(3-chlorophenoxy)ethanol;deuterio(fluoro)methane;hydride;oxido formate?
The IUPAC name of dipotassium;2-bromoethanol;3-chlorophenol;2-(3-chlorophenoxy)ethanol;deuterio(fluoro)methane;hydride;oxido formate (CID 161054810) is dipotassium;2-bromoethanol;3-chlorophenol;2-(3-chlorophenoxy)ethanol;deuterio(fluoro)methane;hydride;oxido formate.
What is the SMILES notation for dipotassium;2-bromoethanol;3-chlorophenol;2-(3-chlorophenoxy)ethanol;deuterio(fluoro)methane;hydride;oxido formate?
The canonical SMILES for dipotassium;2-bromoethanol;3-chlorophenol;2-(3-chlorophenoxy)ethanol;deuterio(fluoro)methane;hydride;oxido formate is O=CO[O-].OCCBr.OCCOc1cccc(Cl)c1.Oc1cccc(Cl)c1.[2H]CF.[H-].[K+].[K+].
What is the InChIKey of dipotassium;2-bromoethanol;3-chlorophenol;2-(3-chlorophenoxy)ethanol;deuterio(fluoro)methane;hydride;oxido formate?
The InChIKey is KDHSZOAJKKZEGB-SPWDEMCOSA-M. The full InChI is InChI=1S/C8H9ClO2.C6H5ClO.C2H5BrO.CH3F.CH2O3.2K.H/c9-7-2-1-3-8(6-7)11-5-4-10;7-5-2-1-3-6(8)4-5;3-1-2-4;1-2;2-1-4-3;;;/h1-3,6,10H,4-5H2;1-4,8H;4H,1-2H2;1H3;1,3H;;;/q;;;;;2*+1;-1/p-1/i;;;1D;;;;.
What are the key properties of dipotassium;2-bromoethanol;3-chlorophenol;2-(3-chlorophenoxy)ethanol;deuterio(fluoro)methane;hydride;oxido formate?
dipotassium;2-bromoethanol;3-chlorophenol;2-(3-chlorophenoxy)ethanol;deuterio(fluoro)methane;hydride;oxido formate has a molecular weight of 601.39 g/mol, XLogP of -2.73, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;2-bromoethanol;3-chlorophenol;2-(3-chlorophenoxy)ethanol;deuterio(fluoro)methane;hydride;oxido formate is sourced from PubChem (CID 161054810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).