chloroform;2-ethoxyethanol

C5H11Cl3O2 — CID 118659201

IUPACchloroform;2-ethoxyethanol
SMILESCCOCCO.ClC(Cl)Cl
InChIInChI=1S/C4H10O2.CHCl3/c1-2-6-4-3-5;2-1(3)4/h5H,2-4H2,1H3;1H
InChIKeySNDRJHXKKXRFHU-UHFFFAOYSA-N
MW209.50 g/mol
LogP2.00
Rot. Bonds3

About chloroform;2-ethoxyethanol

chloroform;2-ethoxyethanol (PubChem CID 118659201) has the molecular formula C5H11Cl3O2 and a molecular weight of 209.50 g/mol. Its IUPAC name is chloroform;2-ethoxyethanol.

Molecular Properties

Compound Namechloroform;2-ethoxyethanol
PubChem CID118659201
Molecular FormulaC5H11Cl3O2
Molecular Weight209.50 g/mol
Exact Mass207.98
IUPAC Namechloroform;2-ethoxyethanol
SMILESCCOCCO.ClC(Cl)Cl
InChIInChI=1S/C4H10O2.CHCl3/c1-2-6-4-3-5;2-1(3)4/h5H,2-4H2,1H3;1H
InChIKeySNDRJHXKKXRFHU-UHFFFAOYSA-N
XLogP2.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.50
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxyethanol;neodymium
CID 174490221
2-ethoxyethanol;silane
CID 173283937
2-ethoxyethanol;trichloroiridium;hydrate
CID 174911272
disodium;azanide;2-ethoxyethanol;hydride
CID 173429143
2-(2-ethoxyethoxy)ethanol;methanol
CID 87987109
bis(2-(2-ethoxyethoxy)ethanol);hydrate
CID 87793690
chloroform;ethanol;ethoxyethane
CID 87752781
calcium;2-(2-ethoxyethoxy)ethanol;hydride
CID 174899431
ethane-1,2-diol;2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethanol;methoxymethane
CID 23133360
potassium;2-ethoxyethanol;hexafluorophosphate
CID 174932097
2-ethoxyethanol;sulfuric acid
CID 87749123
2-ethoxyethanol;propanoic acid
CID 71354268

Frequently Asked Questions

What is the IUPAC name of chloroform;2-ethoxyethanol?
The IUPAC name of chloroform;2-ethoxyethanol (CID 118659201) is chloroform;2-ethoxyethanol.
What is the SMILES notation for chloroform;2-ethoxyethanol?
The canonical SMILES for chloroform;2-ethoxyethanol is CCOCCO.ClC(Cl)Cl.
What is the InChIKey of chloroform;2-ethoxyethanol?
The InChIKey is SNDRJHXKKXRFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2.CHCl3/c1-2-6-4-3-5;2-1(3)4/h5H,2-4H2,1H3;1H.
What are the key properties of chloroform;2-ethoxyethanol?
chloroform;2-ethoxyethanol has a molecular weight of 209.50 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;2-ethoxyethanol is sourced from PubChem (CID 118659201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).