N,N-dimethylformamide;1,1,2-trichloroethene

C5H8Cl3NO — CID 88507276

IUPACN,N-dimethylformamide;1,1,2-trichloroethene
SMILESCN(C)C=O.ClC=C(Cl)Cl
InChIInChI=1S/C3H7NO.C2HCl3/c1-4(2)3-5;3-1-2(4)5/h3H,1-2H3;1H
InChIKeyIPUBWNOXVQSUFA-UHFFFAOYSA-N
MW204.48 g/mol
LogP2.21
Rot. Bonds1

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

N,N-dimethylformamide;1,1,2-trichloroethene (PubChem CID 88507276) has the molecular formula C5H8Cl3NO and a molecular weight of 204.48 g/mol. Its IUPAC name is N,N-dimethylformamide;1,1,2-trichloroethene.

Molecular Properties

Compound NameN,N-dimethylformamide;1,1,2-trichloroethene
PubChem CID88507276
Molecular FormulaC5H8Cl3NO
Molecular Weight204.48 g/mol
Exact Mass202.97
IUPAC NameN,N-dimethylformamide;1,1,2-trichloroethene
SMILESCN(C)C=O.ClC=C(Cl)Cl
InChIInChI=1S/C3H7NO.C2HCl3/c1-4(2)3-5;3-1-2(4)5/h3H,1-2H3;1H
InChIKeyIPUBWNOXVQSUFA-UHFFFAOYSA-N
XLogP2.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.48
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-dimethylformamide;1,1,2-trichloroethene 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 N,N-dimethylformamide;1,1,2-trichloroethene?
The IUPAC name of N,N-dimethylformamide;1,1,2-trichloroethene (CID 88507276) is N,N-dimethylformamide;1,1,2-trichloroethene.
What is the SMILES notation for N,N-dimethylformamide;1,1,2-trichloroethene?
The canonical SMILES for N,N-dimethylformamide;1,1,2-trichloroethene is CN(C)C=O.ClC=C(Cl)Cl.
What is the InChIKey of N,N-dimethylformamide;1,1,2-trichloroethene?
The InChIKey is IPUBWNOXVQSUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.C2HCl3/c1-4(2)3-5;3-1-2(4)5/h3H,1-2H3;1H.
What are the key properties of N,N-dimethylformamide;1,1,2-trichloroethene?
N,N-dimethylformamide;1,1,2-trichloroethene has a molecular weight of 204.48 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;1,1,2-trichloroethene is sourced from PubChem (CID 88507276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).