N,N-dimethylformamide;1,1,1,2,2,2-hexachloroethane

C5H7Cl6NO — CID 174821411

IUPACN,N-dimethylformamide;1,1,1,2,2,2-hexachloroethane
SMILESCN(C)C=O.ClC(Cl)(Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C3H7NO.C2Cl6/c1-4(2)3-5;3-1(4,5)2(6,7)8/h3H,1-2H3;
InChIKeyMIYICGRLKNJJLW-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.43
Rot. Bonds1

About N,N-dimethylformamide;1,1,1,2,2,2-hexachloroethane

N,N-dimethylformamide;1,1,1,2,2,2-hexachloroethane (PubChem CID 174821411) has the molecular formula C5H7Cl6NO and a molecular weight of 309.84 g/mol. Its IUPAC name is N,N-dimethylformamide;1,1,1,2,2,2-hexachloroethane.

Molecular Properties

Compound NameN,N-dimethylformamide;1,1,1,2,2,2-hexachloroethane
PubChem CID174821411
Molecular FormulaC5H7Cl6NO
Molecular Weight309.84 g/mol
Exact Mass306.87
IUPAC NameN,N-dimethylformamide;1,1,1,2,2,2-hexachloroethane
SMILESCN(C)C=O.ClC(Cl)(Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C3H7NO.C2Cl6/c1-4(2)3-5;3-1(4,5)2(6,7)8/h3H,1-2H3;
InChIKeyMIYICGRLKNJJLW-UHFFFAOYSA-N
XLogP3.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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;molecular chlorine
CID 86751989
CID 159352431
CID 159352431
pentakis(N,N-dimethylformamide);ethane
CID 54023735
dichloronickel;N,N-dimethylformamide
CID 174793143
N,N-dimethylformamide;trichloroindigane
CID 175009475
N,N-dimethylformamide;gold;hydrochloride
CID 174891065
potassium;N,N-dimethylformamide;iodide
CID 87701364
azanium;N,N-dimethylformamide;chloride
CID 159495814
N,N-dimethylformamide;sulfur monoxide
CID 87147971
lithium;N,N-dimethylformamide;iodide
CID 161014546
N,N-dimethylformamide;methanethiol
CID 86741828
CID 175333596
CID 175333596

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylformamide;1,1,1,2,2,2-hexachloroethane?
The IUPAC name of N,N-dimethylformamide;1,1,1,2,2,2-hexachloroethane (CID 174821411) is N,N-dimethylformamide;1,1,1,2,2,2-hexachloroethane.
What is the SMILES notation for N,N-dimethylformamide;1,1,1,2,2,2-hexachloroethane?
The canonical SMILES for N,N-dimethylformamide;1,1,1,2,2,2-hexachloroethane is CN(C)C=O.ClC(Cl)(Cl)C(Cl)(Cl)Cl.
What is the InChIKey of N,N-dimethylformamide;1,1,1,2,2,2-hexachloroethane?
The InChIKey is MIYICGRLKNJJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.C2Cl6/c1-4(2)3-5;3-1(4,5)2(6,7)8/h3H,1-2H3;.
What are the key properties of N,N-dimethylformamide;1,1,1,2,2,2-hexachloroethane?
N,N-dimethylformamide;1,1,1,2,2,2-hexachloroethane has a molecular weight of 309.84 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;1,1,1,2,2,2-hexachloroethane is sourced from PubChem (CID 174821411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).