dichloromethane;N,N-diethylethanamine;ethanol

C9H23Cl2NO — CID 22350034

IUPACdichloromethane;N,N-diethylethanamine;ethanol
SMILESCCN(CC)CC.CCO.ClCCl
InChIInChI=1S/C6H15N.C2H6O.CH2Cl2/c1-4-7(5-2)6-3;1-2-3;2-1-3/h4-6H2,1-3H3;3H,2H2,1H3;1H2
InChIKeyXHIKCWBOQBWVPU-UHFFFAOYSA-N
MW232.19 g/mol
LogP2.77
Rot. Bonds3

About dichloromethane;N,N-diethylethanamine;ethanol

dichloromethane;N,N-diethylethanamine;ethanol (PubChem CID 22350034) has the molecular formula C9H23Cl2NO and a molecular weight of 232.19 g/mol. Its IUPAC name is dichloromethane;N,N-diethylethanamine;ethanol.

Molecular Properties

Compound Namedichloromethane;N,N-diethylethanamine;ethanol
PubChem CID22350034
Molecular FormulaC9H23Cl2NO
Molecular Weight232.19 g/mol
Exact Mass231.12
IUPAC Namedichloromethane;N,N-diethylethanamine;ethanol
SMILESCCN(CC)CC.CCO.ClCCl
InChIInChI=1S/C6H15N.C2H6O.CH2Cl2/c1-4-7(5-2)6-3;1-2-3;2-1-3/h4-6H2,1-3H3;3H,2H2,1H3;1H2
InChIKeyXHIKCWBOQBWVPU-UHFFFAOYSA-N
XLogP2.77
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethylethanamine;hypochlorous acid
CID 87187871
(dichloromethane);ethanol
CID 173133472
dichloromethane;ethanol;propane
CID 91081470
N,N-diethylethanamine;ethane
CID 22114990
CID 91016120
CID 91016120
N,N-diethylethanamine;hypofluorous acid
CID 157218487
N,N-diethylethanamine chloride
CID 22292735
CID 175820473
CID 175820473
N,N-diethylethanamine;palladium(2+)
CID 22219787
bis(N,N-diethylethanamine);dihydrate
CID 173331052
N,N-Diethylethanamine--trichlorogermane (1/1)
CID 73182129
dichlorocopper;N,N-diethylethanamine
CID 88694959

Frequently Asked Questions

What is the IUPAC name of dichloromethane;N,N-diethylethanamine;ethanol?
The IUPAC name of dichloromethane;N,N-diethylethanamine;ethanol (CID 22350034) is dichloromethane;N,N-diethylethanamine;ethanol.
What is the SMILES notation for dichloromethane;N,N-diethylethanamine;ethanol?
The canonical SMILES for dichloromethane;N,N-diethylethanamine;ethanol is CCN(CC)CC.CCO.ClCCl.
What is the InChIKey of dichloromethane;N,N-diethylethanamine;ethanol?
The InChIKey is XHIKCWBOQBWVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C2H6O.CH2Cl2/c1-4-7(5-2)6-3;1-2-3;2-1-3/h4-6H2,1-3H3;3H,2H2,1H3;1H2.
What are the key properties of dichloromethane;N,N-diethylethanamine;ethanol?
dichloromethane;N,N-diethylethanamine;ethanol has a molecular weight of 232.19 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;N,N-diethylethanamine;ethanol is sourced from PubChem (CID 22350034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).