acetonitrile;chloroform;methanol;hydrate

C4H10Cl3NO2 — CID 174543299

IUPACacetonitrile;chloroform;methanol;hydrate
SMILESCC#N.CO.ClC(Cl)Cl.O
InChIInChI=1S/C2H3N.CHCl3.CH4O.H2O/c1-2-3;2-1(3)4;1-2;/h1H3;1H;2H,1H3;1H2
InChIKeyBIBVFQLSZJENFQ-UHFFFAOYSA-N
MW210.49 g/mol
LogP1.30
Rot. Bonds

About acetonitrile;chloroform;methanol;hydrate

acetonitrile;chloroform;methanol;hydrate (PubChem CID 174543299) has the molecular formula C4H10Cl3NO2 and a molecular weight of 210.49 g/mol. Its IUPAC name is acetonitrile;chloroform;methanol;hydrate.

Molecular Properties

Compound Nameacetonitrile;chloroform;methanol;hydrate
PubChem CID174543299
Molecular FormulaC4H10Cl3NO2
Molecular Weight210.49 g/mol
Exact Mass208.98
IUPAC Nameacetonitrile;chloroform;methanol;hydrate
SMILESCC#N.CO.ClC(Cl)Cl.O
InChIInChI=1S/C2H3N.CHCl3.CH4O.H2O/c1-2-3;2-1(3)4;1-2;/h1H3;1H;2H,1H3;1H2
InChIKeyBIBVFQLSZJENFQ-UHFFFAOYSA-N
XLogP1.30
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.49
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 22154984
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Frequently Asked Questions

What is the IUPAC name of acetonitrile;chloroform;methanol;hydrate?
The IUPAC name of acetonitrile;chloroform;methanol;hydrate (CID 174543299) is acetonitrile;chloroform;methanol;hydrate.
What is the SMILES notation for acetonitrile;chloroform;methanol;hydrate?
The canonical SMILES for acetonitrile;chloroform;methanol;hydrate is CC#N.CO.ClC(Cl)Cl.O.
What is the InChIKey of acetonitrile;chloroform;methanol;hydrate?
The InChIKey is BIBVFQLSZJENFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N.CHCl3.CH4O.H2O/c1-2-3;2-1(3)4;1-2;/h1H3;1H;2H,1H3;1H2.
What are the key properties of acetonitrile;chloroform;methanol;hydrate?
acetonitrile;chloroform;methanol;hydrate has a molecular weight of 210.49 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;chloroform;methanol;hydrate is sourced from PubChem (CID 174543299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).