acetonitrile;dichloromethane;ethoxyethane

C7H15Cl2NO — CID 172838779

IUPACacetonitrile;dichloromethane;ethoxyethane
SMILESCC#N.CCOCC.ClCCl
InChIInChI=1S/C4H10O.C2H3N.CH2Cl2/c1-3-5-4-2;1-2-3;2-1-3/h3-4H2,1-2H3;1H3;1H2
InChIKeyWNAABYNIWFSPED-UHFFFAOYSA-N
MW200.11 g/mol
LogP2.99
Rot. Bonds2

About acetonitrile;dichloromethane;ethoxyethane

acetonitrile;dichloromethane;ethoxyethane (PubChem CID 172838779) has the molecular formula C7H15Cl2NO and a molecular weight of 200.11 g/mol. Its IUPAC name is acetonitrile;dichloromethane;ethoxyethane.

Molecular Properties

Compound Nameacetonitrile;dichloromethane;ethoxyethane
PubChem CID172838779
Molecular FormulaC7H15Cl2NO
Molecular Weight200.11 g/mol
Exact Mass199.05
IUPAC Nameacetonitrile;dichloromethane;ethoxyethane
SMILESCC#N.CCOCC.ClCCl
InChIInChI=1S/C4H10O.C2H3N.CH2Cl2/c1-3-5-4-2;1-2-3;2-1-3/h3-4H2,1-2H3;1H3;1H2
InChIKeyWNAABYNIWFSPED-UHFFFAOYSA-N
XLogP2.99
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.11
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(acetonitrile);(dichloromethane)
CID 173205533
ethoxyethane;pentahydrate
CID 141041283
ethoxyethane;hydrate
CID 22594236
dichloromethane;ethoxyethane;methanol;hydrochloride
CID 131723053
ethoxyethane;molecular nitrogen
CID 86758381
ethoxyethane
CID 19002445
ethoxyethane
CID 18694919
ethoxyethane;sulfane
CID 90240371
ethoxyethane;sulfane
CID 87243372
disodium;ethoxyethane
CID 23107014
ethoxyethane;tetrachloromethane
CID 87294863
lithium;ethoxyethane;chloride
CID 175344978

Frequently Asked Questions

What is the IUPAC name of acetonitrile;dichloromethane;ethoxyethane?
The IUPAC name of acetonitrile;dichloromethane;ethoxyethane (CID 172838779) is acetonitrile;dichloromethane;ethoxyethane.
What is the SMILES notation for acetonitrile;dichloromethane;ethoxyethane?
The canonical SMILES for acetonitrile;dichloromethane;ethoxyethane is CC#N.CCOCC.ClCCl.
What is the InChIKey of acetonitrile;dichloromethane;ethoxyethane?
The InChIKey is WNAABYNIWFSPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C2H3N.CH2Cl2/c1-3-5-4-2;1-2-3;2-1-3/h3-4H2,1-2H3;1H3;1H2.
What are the key properties of acetonitrile;dichloromethane;ethoxyethane?
acetonitrile;dichloromethane;ethoxyethane has a molecular weight of 200.11 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;dichloromethane;ethoxyethane is sourced from PubChem (CID 172838779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).