chloroform;ethanol

C11H31Cl3O5 — CID 173257897

IUPACchloroform;ethanol
SMILESCCO.CCO.CCO.CCO.CCO.ClC(Cl)Cl
InChIInChI=1S/5C2H6O.CHCl3/c5*1-2-3;2-1(3)4/h5*3H,2H2,1H3;1H
InChIKeyWNXNPXMTHUSVBW-UHFFFAOYSA-N
MW349.72 g/mol
LogP1.98
Rot. Bonds

About chloroform;ethanol

chloroform;ethanol (PubChem CID 173257897) has the molecular formula C11H31Cl3O5 and a molecular weight of 349.72 g/mol. Its IUPAC name is chloroform;ethanol.

Molecular Properties

Compound Namechloroform;ethanol
PubChem CID173257897
Molecular FormulaC11H31Cl3O5
Molecular Weight349.72 g/mol
Exact Mass348.12
IUPAC Namechloroform;ethanol
SMILESCCO.CCO.CCO.CCO.CCO.ClC(Cl)Cl
InChIInChI=1S/5C2H6O.CHCl3/c5*1-2-3;2-1(3)4/h5*3H,2H2,1H3;1H
InChIKeyWNXNPXMTHUSVBW-UHFFFAOYSA-N
XLogP1.98
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.72
LogP ≤ 51.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

chloroform;ethanol;methanol;hydrate
CID 18003253
chloroform;ethanol;tetrachloromethane;hydrate
CID 174619658
chloroform;ethanol;methanol;propan-2-ol
CID 172777273
chloroform;ethanol;ethoxyethane
CID 87752781
azane;butan-1-ol;chloroform;ethanol;hydrate
CID 173117603
(dichloromethane);ethanol
CID 173133472
chloroform;2-methylpropan-1-ol
CID 22625576
ethanol;hydron
CID 174459614
ethanol;stibane
CID 170920077
ethanol;phosphane
CID 159788730
ethanol;tin(2+)
CID 162004830
ethanol;palladium
CID 87368677

Frequently Asked Questions

What is the IUPAC name of chloroform;ethanol?
The IUPAC name of chloroform;ethanol (CID 173257897) is chloroform;ethanol.
What is the SMILES notation for chloroform;ethanol?
The canonical SMILES for chloroform;ethanol is CCO.CCO.CCO.CCO.CCO.ClC(Cl)Cl.
What is the InChIKey of chloroform;ethanol?
The InChIKey is WNXNPXMTHUSVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/5C2H6O.CHCl3/c5*1-2-3;2-1(3)4/h5*3H,2H2,1H3;1H.
What are the key properties of chloroform;ethanol?
chloroform;ethanol has a molecular weight of 349.72 g/mol, XLogP of 1.98, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;ethanol is sourced from PubChem (CID 173257897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).