dichloromethane;N,N-dimethylformamide;propan-2-one

C7H15Cl2NO2 — CID 172808068

IUPACdichloromethane;N,N-dimethylformamide;propan-2-one
SMILESCC(C)=O.CN(C)C=O.ClCCl
InChIInChI=1S/C3H7NO.C3H6O.CH2Cl2/c1-4(2)3-5;1-3(2)4;2-1-3/h3H,1-2H3;1-2H3;1H2
InChIKeyRUBTUPCOHYAOFE-UHFFFAOYSA-N
MW216.11 g/mol
LogP1.72
Rot. Bonds1

About dichloromethane;N,N-dimethylformamide;propan-2-one

dichloromethane;N,N-dimethylformamide;propan-2-one (PubChem CID 172808068) has the molecular formula C7H15Cl2NO2 and a molecular weight of 216.11 g/mol. Its IUPAC name is dichloromethane;N,N-dimethylformamide;propan-2-one.

Molecular Properties

Compound Namedichloromethane;N,N-dimethylformamide;propan-2-one
PubChem CID172808068
Molecular FormulaC7H15Cl2NO2
Molecular Weight216.11 g/mol
Exact Mass215.05
IUPAC Namedichloromethane;N,N-dimethylformamide;propan-2-one
SMILESCC(C)=O.CN(C)C=O.ClCCl
InChIInChI=1S/C3H7NO.C3H6O.CH2Cl2/c1-4(2)3-5;1-3(2)4;2-1-3/h3H,1-2H3;1-2H3;1H2
InChIKeyRUBTUPCOHYAOFE-UHFFFAOYSA-N
XLogP1.72
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.11
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylformamide;ethanol;methanol;propan-2-one
CID 172828368
N,N-dimethylformamide;molecular chlorine
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acetic acid;N,N-dimethylformamide;ethanol
CID 88751459
dichloromethane;N,N-dimethylformamide;ethyl acetate;methylsulfinylmethane
CID 158969728
CID 159352431
CID 159352431
pentakis(N,N-dimethylformamide);ethane
CID 54023735
N,N-dimethylformamide;silicic acid
CID 162024384
dichloronickel;N,N-dimethylformamide
CID 174793143
N,N-dimethylformamide;trichloroindigane
CID 175009475
N,N-dimethylformamide;1,1,2-trichloroethene
CID 88507276
CID 175333596
CID 175333596
N,N-dimethylformamide;methanethiol
CID 86741828

Frequently Asked Questions

What is the IUPAC name of dichloromethane;N,N-dimethylformamide;propan-2-one?
The IUPAC name of dichloromethane;N,N-dimethylformamide;propan-2-one (CID 172808068) is dichloromethane;N,N-dimethylformamide;propan-2-one.
What is the SMILES notation for dichloromethane;N,N-dimethylformamide;propan-2-one?
The canonical SMILES for dichloromethane;N,N-dimethylformamide;propan-2-one is CC(C)=O.CN(C)C=O.ClCCl.
What is the InChIKey of dichloromethane;N,N-dimethylformamide;propan-2-one?
The InChIKey is RUBTUPCOHYAOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.C3H6O.CH2Cl2/c1-4(2)3-5;1-3(2)4;2-1-3/h3H,1-2H3;1-2H3;1H2.
What are the key properties of dichloromethane;N,N-dimethylformamide;propan-2-one?
dichloromethane;N,N-dimethylformamide;propan-2-one has a molecular weight of 216.11 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;N,N-dimethylformamide;propan-2-one is sourced from PubChem (CID 172808068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).