ethyl acetate;fluoroform;formic acid;methanol

C7H15F3O5 — CID 174054036

IUPACethyl acetate;fluoroform;formic acid;methanol
SMILESCCOC(C)=O.CO.FC(F)F.O=CO
InChIInChI=1S/C4H8O2.CHF3.CH2O2.CH4O/c1-3-6-4(2)5;2-1(3)4;2-1-3;1-2/h3H2,1-2H3;1H;1H,(H,2,3);2H,1H3
InChIKeyJDBNLCKTLFHMKJ-UHFFFAOYSA-N
MW236.19 g/mol
LogP1.06
Rot. Bonds1

About ethyl acetate;fluoroform;formic acid;methanol

ethyl acetate;fluoroform;formic acid;methanol (PubChem CID 174054036) has the molecular formula C7H15F3O5 and a molecular weight of 236.19 g/mol. Its IUPAC name is ethyl acetate;fluoroform;formic acid;methanol.

Molecular Properties

Compound Nameethyl acetate;fluoroform;formic acid;methanol
PubChem CID174054036
Molecular FormulaC7H15F3O5
Molecular Weight236.19 g/mol
Exact Mass236.09
IUPAC Nameethyl acetate;fluoroform;formic acid;methanol
SMILESCCOC(C)=O.CO.FC(F)F.O=CO
InChIInChI=1S/C4H8O2.CHF3.CH2O2.CH4O/c1-3-6-4(2)5;2-1(3)4;2-1-3;1-2/h3H2,1-2H3;1H;1H,(H,2,3);2H,1H3
InChIKeyJDBNLCKTLFHMKJ-UHFFFAOYSA-N
XLogP1.06
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl acetate;fluoroform;formic acid;methanol?
The IUPAC name of ethyl acetate;fluoroform;formic acid;methanol (CID 174054036) is ethyl acetate;fluoroform;formic acid;methanol.
What is the SMILES notation for ethyl acetate;fluoroform;formic acid;methanol?
The canonical SMILES for ethyl acetate;fluoroform;formic acid;methanol is CCOC(C)=O.CO.FC(F)F.O=CO.
What is the InChIKey of ethyl acetate;fluoroform;formic acid;methanol?
The InChIKey is JDBNLCKTLFHMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.CHF3.CH2O2.CH4O/c1-3-6-4(2)5;2-1(3)4;2-1-3;1-2/h3H2,1-2H3;1H;1H,(H,2,3);2H,1H3.
What are the key properties of ethyl acetate;fluoroform;formic acid;methanol?
ethyl acetate;fluoroform;formic acid;methanol has a molecular weight of 236.19 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl acetate;fluoroform;formic acid;methanol is sourced from PubChem (CID 174054036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).