chloroform;ethanol;ethyl acetate;formic acid

C8H17Cl3O5 — CID 174532770

IUPACchloroform;ethanol;ethyl acetate;formic acid
SMILESCCO.CCOC(C)=O.ClC(Cl)Cl.O=CO
InChIInChI=1S/C4H8O2.C2H6O.CHCl3.CH2O2/c1-3-6-4(2)5;1-2-3;2-1(3)4;2-1-3/h3H2,1-2H3;3H,2H2,1H3;1H;1H,(H,2,3)
InChIKeyFJWMEVMCILTJRA-UHFFFAOYSA-N
MW299.58 g/mol
LogP2.26
Rot. Bonds1

About chloroform;ethanol;ethyl acetate;formic acid

chloroform;ethanol;ethyl acetate;formic acid (PubChem CID 174532770) has the molecular formula C8H17Cl3O5 and a molecular weight of 299.58 g/mol. Its IUPAC name is chloroform;ethanol;ethyl acetate;formic acid.

Molecular Properties

Compound Namechloroform;ethanol;ethyl acetate;formic acid
PubChem CID174532770
Molecular FormulaC8H17Cl3O5
Molecular Weight299.58 g/mol
Exact Mass298.01
IUPAC Namechloroform;ethanol;ethyl acetate;formic acid
SMILESCCO.CCOC(C)=O.ClC(Cl)Cl.O=CO
InChIInChI=1S/C4H8O2.C2H6O.CHCl3.CH2O2/c1-3-6-4(2)5;1-2-3;2-1(3)4;2-1-3/h3H2,1-2H3;3H,2H2,1H3;1H;1H,(H,2,3)
InChIKeyFJWMEVMCILTJRA-UHFFFAOYSA-N
XLogP2.26
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.58
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 173213410
chloroform;ethyl acetate
CID 22063688
chloroform;ethyl acetate
CID 173321498
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CID 158070292
ethyl acetate;formic acid;propan-2-one;hydrochloride
CID 175279628
sodium;chloroform;ethyl acetate;hydride
CID 175038469
ethanol;ethyl acetate
CID 173022006
ethyl acetate;fluoroform;formic acid;methanol
CID 174054036
acetic acid;chloroform;ethyl acetate;methanol
CID 21192387
ethanol;ethyl acetate;hydrate
CID 86601158
benzene;chloroform;ethyl acetate;tetrachloromethane
CID 161411340
ethyl acetate;bis(propan-2-ol)
CID 87186921

Frequently Asked Questions

What is the IUPAC name of chloroform;ethanol;ethyl acetate;formic acid?
The IUPAC name of chloroform;ethanol;ethyl acetate;formic acid (CID 174532770) is chloroform;ethanol;ethyl acetate;formic acid.
What is the SMILES notation for chloroform;ethanol;ethyl acetate;formic acid?
The canonical SMILES for chloroform;ethanol;ethyl acetate;formic acid is CCO.CCOC(C)=O.ClC(Cl)Cl.O=CO.
What is the InChIKey of chloroform;ethanol;ethyl acetate;formic acid?
The InChIKey is FJWMEVMCILTJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.C2H6O.CHCl3.CH2O2/c1-3-6-4(2)5;1-2-3;2-1(3)4;2-1-3/h3H2,1-2H3;3H,2H2,1H3;1H;1H,(H,2,3).
What are the key properties of chloroform;ethanol;ethyl acetate;formic acid?
chloroform;ethanol;ethyl acetate;formic acid has a molecular weight of 299.58 g/mol, XLogP of 2.26, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;ethanol;ethyl acetate;formic acid is sourced from PubChem (CID 174532770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).