chloroform;ethanol;ethoxyethane

C7H17Cl3O2 — CID 87752781

IUPACchloroform;ethanol;ethoxyethane
SMILESCCO.CCOCC.ClC(Cl)Cl
InChIInChI=1S/C4H10O.C2H6O.CHCl3/c1-3-5-4-2;1-2-3;2-1(3)4/h3-4H2,1-2H3;3H,2H2,1H3;1H
InChIKeyLRUXBTUVXUVUOR-UHFFFAOYSA-N
MW239.57 g/mol
LogP3.03
Rot. Bonds2

About chloroform;ethanol;ethoxyethane

chloroform;ethanol;ethoxyethane (PubChem CID 87752781) has the molecular formula C7H17Cl3O2 and a molecular weight of 239.57 g/mol. Its IUPAC name is chloroform;ethanol;ethoxyethane.

Molecular Properties

Compound Namechloroform;ethanol;ethoxyethane
PubChem CID87752781
Molecular FormulaC7H17Cl3O2
Molecular Weight239.57 g/mol
Exact Mass238.03
IUPAC Namechloroform;ethanol;ethoxyethane
SMILESCCO.CCOCC.ClC(Cl)Cl
InChIInChI=1S/C4H10O.C2H6O.CHCl3/c1-3-5-4-2;1-2-3;2-1(3)4/h3-4H2,1-2H3;3H,2H2,1H3;1H
InChIKeyLRUXBTUVXUVUOR-UHFFFAOYSA-N
XLogP3.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.57
LogP ≤ 53.03
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

2,2-dichloroethanol;ethoxyethane
CID 22662862
azanium;chloroform;ethoxyethane;methanol;hydroxide
CID 19437863
chloroform;ethanol
CID 173257897
chloroform;2-ethoxyethanol
CID 118659201
chloroform;ethoxyethane;hexane;methanol
CID 173390490
ethanol;ethene;ethoxyethane
CID 139434375
ethoxyethane;1,1,2,2-tetrachloroethane
CID 174880483
tris(ethane-1,2-diol);ethoxyethane
CID 173395808
chloroform;ethanol;methanol;hydrate
CID 18003253
ethoxyethane
CID 18694919
ethoxyethane
CID 19002445
ethoxyethane;decakis(propane-1,2,3-triol)
CID 173290324

Frequently Asked Questions

What is the IUPAC name of chloroform;ethanol;ethoxyethane?
The IUPAC name of chloroform;ethanol;ethoxyethane (CID 87752781) is chloroform;ethanol;ethoxyethane.
What is the SMILES notation for chloroform;ethanol;ethoxyethane?
The canonical SMILES for chloroform;ethanol;ethoxyethane is CCO.CCOCC.ClC(Cl)Cl.
What is the InChIKey of chloroform;ethanol;ethoxyethane?
The InChIKey is LRUXBTUVXUVUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C2H6O.CHCl3/c1-3-5-4-2;1-2-3;2-1(3)4/h3-4H2,1-2H3;3H,2H2,1H3;1H.
What are the key properties of chloroform;ethanol;ethoxyethane?
chloroform;ethanol;ethoxyethane has a molecular weight of 239.57 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;ethanol;ethoxyethane is sourced from PubChem (CID 87752781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).