azane;bis(dichloromethane);methanol

C4H15Cl4NO2 — CID 173301949

IUPACazane;bis(dichloromethane);methanol
SMILESCO.CO.ClCCl.ClCCl.N
InChIInChI=1S/2CH2Cl2.2CH4O.H3N/c2*2-1-3;2*1-2;/h2*1H2;2*2H,1H3;1H3
InChIKeyLXTQTVXQNHFJRN-UHFFFAOYSA-N
MW250.98 g/mol
LogP2.22
Rot. Bonds

About azane;bis(dichloromethane);methanol

azane;bis(dichloromethane);methanol (PubChem CID 173301949) has the molecular formula C4H15Cl4NO2 and a molecular weight of 250.98 g/mol. Its IUPAC name is azane;bis(dichloromethane);methanol.

Molecular Properties

Compound Nameazane;bis(dichloromethane);methanol
PubChem CID173301949
Molecular FormulaC4H15Cl4NO2
Molecular Weight250.98 g/mol
Exact Mass248.99
IUPAC Nameazane;bis(dichloromethane);methanol
SMILESCO.CO.ClCCl.ClCCl.N
InChIInChI=1S/2CH2Cl2.2CH4O.H3N/c2*2-1-3;2*1-2;/h2*1H2;2*2H,1H3;1H3
InChIKeyLXTQTVXQNHFJRN-UHFFFAOYSA-N
XLogP2.22
TPSA75.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.98
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze azane;bis(dichloromethane);methanol 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

(dichloromethane);methanol
CID 173151406
(dichloromethane);methanol
CID 173026294
(dichloromethane);methanol
CID 173499764
dichloromethane;methane;methanol
CID 161268863
acetic acid;(dichloromethane);methanol
CID 173388034
dichloromethane;methanol;propan-2-ol;hydrate
CID 18377868
(dichloromethane);ethanol
CID 173133472
1-chloro-1-fluoroethane;dichloromethane;methanol
CID 174297915
dichloromethane;2-methylpropan-2-ol
CID 18914702
dichloromethane;ethanol;propane
CID 91081470
dichloromethane;methanol;2-methoxy-2-methylpropane
CID 87545382
dichloromethane;ethoxyethane;methanol;hydrochloride
CID 131723053

Frequently Asked Questions

What is the IUPAC name of azane;bis(dichloromethane);methanol?
The IUPAC name of azane;bis(dichloromethane);methanol (CID 173301949) is azane;bis(dichloromethane);methanol.
What is the SMILES notation for azane;bis(dichloromethane);methanol?
The canonical SMILES for azane;bis(dichloromethane);methanol is CO.CO.ClCCl.ClCCl.N.
What is the InChIKey of azane;bis(dichloromethane);methanol?
The InChIKey is LXTQTVXQNHFJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/2CH2Cl2.2CH4O.H3N/c2*2-1-3;2*1-2;/h2*1H2;2*2H,1H3;1H3.
What are the key properties of azane;bis(dichloromethane);methanol?
azane;bis(dichloromethane);methanol has a molecular weight of 250.98 g/mol, XLogP of 2.22, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;bis(dichloromethane);methanol is sourced from PubChem (CID 173301949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).