acetonitrile;chloroform

C3H4Cl3N — CID 22555007

IUPACacetonitrile;chloroform
SMILESCC#N.ClC(Cl)Cl
InChIInChI=1S/C2H3N.CHCl3/c1-2-3;2-1(3)4/h1H3;1H
InChIKeyZULJYVVAYGFYKU-UHFFFAOYSA-N
MW160.43 g/mol
LogP2.52
Rot. Bonds

About acetonitrile;chloroform

acetonitrile;chloroform (PubChem CID 22555007) has the molecular formula C3H4Cl3N and a molecular weight of 160.43 g/mol. Its IUPAC name is acetonitrile;chloroform.

Molecular Properties

Compound Nameacetonitrile;chloroform
PubChem CID22555007
Molecular FormulaC3H4Cl3N
Molecular Weight160.43 g/mol
Exact Mass158.94
IUPAC Nameacetonitrile;chloroform
SMILESCC#N.ClC(Cl)Cl
InChIInChI=1S/C2H3N.CHCl3/c1-2-3;2-1(3)4/h1H3;1H
InChIKeyZULJYVVAYGFYKU-UHFFFAOYSA-N
XLogP2.52
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.43
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

acetonitrile;chloroform;methanol;hydrate
CID 174543299
acetonitrile;triacontahydrate
CID 141398921
acetonitrile;hydron
CID 22154984
acetonitrile;alumane
CID 174397920
tris(acetonitrile);zirconium
CID 159931297
acetonitrile;molecular nitrogen
CID 142623537
tris(acetonitrile);chromium
CID 160909173
acetonitrile;trichloroborane
CID 22369236
acetonitrile;dichlorocobalt
CID 158125017
(acetonitrile);(dichloromethane)
CID 173205533
chloroform;oxalonitrile;hydrobromide
CID 88658029
tetrakis(acetonitrile);trichlorotitanium
CID 57404109

Frequently Asked Questions

What is the IUPAC name of acetonitrile;chloroform?
The IUPAC name of acetonitrile;chloroform (CID 22555007) is acetonitrile;chloroform.
What is the SMILES notation for acetonitrile;chloroform?
The canonical SMILES for acetonitrile;chloroform is CC#N.ClC(Cl)Cl.
What is the InChIKey of acetonitrile;chloroform?
The InChIKey is ZULJYVVAYGFYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N.CHCl3/c1-2-3;2-1(3)4/h1H3;1H.
What are the key properties of acetonitrile;chloroform?
acetonitrile;chloroform has a molecular weight of 160.43 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;chloroform is sourced from PubChem (CID 22555007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).