N,N-dimethylformamide;trichloroindigane

C3H7Cl3InNO — CID 175009475

IUPACN,N-dimethylformamide;trichloroindigane
SMILESCN(C)C=O.Cl[In](Cl)Cl
InChIInChI=1S/C3H7NO.3ClH.In/c1-4(2)3-5;;;;/h3H,1-2H3;3*1H;/q;;;;+3/p-3
InChIKeyPCCNINCUSXCOBN-UHFFFAOYSA-K
MW294.27 g/mol
LogP1.39
Rot. Bonds1

About N,N-dimethylformamide;trichloroindigane

N,N-dimethylformamide;trichloroindigane (PubChem CID 175009475) has the molecular formula C3H7Cl3InNO and a molecular weight of 294.27 g/mol. Its IUPAC name is N,N-dimethylformamide;trichloroindigane.

Molecular Properties

Compound NameN,N-dimethylformamide;trichloroindigane
PubChem CID175009475
Molecular FormulaC3H7Cl3InNO
Molecular Weight294.27 g/mol
Exact Mass292.86
IUPAC NameN,N-dimethylformamide;trichloroindigane
SMILESCN(C)C=O.Cl[In](Cl)Cl
InChIInChI=1S/C3H7NO.3ClH.In/c1-4(2)3-5;;;;/h3H,1-2H3;3*1H;/q;;;;+3/p-3
InChIKeyPCCNINCUSXCOBN-UHFFFAOYSA-K
XLogP1.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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;gold;hydrochloride
CID 174891065
potassium;N,N-dimethylformamide;iodide
CID 87701364
azanium;N,N-dimethylformamide;chloride
CID 159495814
lithium;N,N-dimethylformamide;iodide
CID 161014546
N,N-dimethylformamide;sulfur monoxide
CID 87147971
CID 175333596
CID 175333596
N,N-dimethylformamide;methanethiol
CID 86741828
N,N-dimethylformamide;oxonickel
CID 175038088

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylformamide;trichloroindigane?
The IUPAC name of N,N-dimethylformamide;trichloroindigane (CID 175009475) is N,N-dimethylformamide;trichloroindigane.
What is the SMILES notation for N,N-dimethylformamide;trichloroindigane?
The canonical SMILES for N,N-dimethylformamide;trichloroindigane is CN(C)C=O.Cl[In](Cl)Cl.
What is the InChIKey of N,N-dimethylformamide;trichloroindigane?
The InChIKey is PCCNINCUSXCOBN-UHFFFAOYSA-K. The full InChI is InChI=1S/C3H7NO.3ClH.In/c1-4(2)3-5;;;;/h3H,1-2H3;3*1H;/q;;;;+3/p-3.
What are the key properties of N,N-dimethylformamide;trichloroindigane?
N,N-dimethylformamide;trichloroindigane has a molecular weight of 294.27 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;trichloroindigane is sourced from PubChem (CID 175009475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).