ethyl 3,3,3-trifluoro-2-(3,3,3-trifluoro-2-prop-2-enoxypropoxy)propanoate

C11H14F6O4 — CID 87837926

IUPACethyl 3,3,3-trifluoro-2-(3,3,3-trifluoro-2-prop-2-enoxypropoxy)propanoate
SMILESC=CCOC(COC(C(=O)OCC)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H14F6O4/c1-3-5-20-7(10(12,13)14)6-21-8(11(15,16)17)9(18)19-4-2/h3,7-8H,1,4-6H2,2H3
InChIKeyFZAOYOMLHCUTJW-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.63
Rot. Bonds8

About ethyl 3,3,3-trifluoro-2-(3,3,3-trifluoro-2-prop-2-enoxypropoxy)propanoate

ethyl 3,3,3-trifluoro-2-(3,3,3-trifluoro-2-prop-2-enoxypropoxy)propanoate (PubChem CID 87837926) has the molecular formula C11H14F6O4 and a molecular weight of 324.22 g/mol. Its IUPAC name is ethyl 3,3,3-trifluoro-2-(3,3,3-trifluoro-2-prop-2-enoxypropoxy)propanoate.

Molecular Properties

Compound Nameethyl 3,3,3-trifluoro-2-(3,3,3-trifluoro-2-prop-2-enoxypropoxy)propanoate
PubChem CID87837926
Molecular FormulaC11H14F6O4
Molecular Weight324.22 g/mol
Exact Mass324.08
IUPAC Nameethyl 3,3,3-trifluoro-2-(3,3,3-trifluoro-2-prop-2-enoxypropoxy)propanoate
SMILESC=CCOC(COC(C(=O)OCC)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H14F6O4/c1-3-5-20-7(10(12,13)14)6-21-8(11(15,16)17)9(18)19-4-2/h3,7-8H,1,4-6H2,2H3
InChIKeyFZAOYOMLHCUTJW-UHFFFAOYSA-N
XLogP2.63
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 3,3,3-trifluoro-2-(3,3,3-trifluoro-2-prop-2-enoxypropoxy)propanoate?
The IUPAC name of ethyl 3,3,3-trifluoro-2-(3,3,3-trifluoro-2-prop-2-enoxypropoxy)propanoate (CID 87837926) is ethyl 3,3,3-trifluoro-2-(3,3,3-trifluoro-2-prop-2-enoxypropoxy)propanoate.
What is the SMILES notation for ethyl 3,3,3-trifluoro-2-(3,3,3-trifluoro-2-prop-2-enoxypropoxy)propanoate?
The canonical SMILES for ethyl 3,3,3-trifluoro-2-(3,3,3-trifluoro-2-prop-2-enoxypropoxy)propanoate is C=CCOC(COC(C(=O)OCC)C(F)(F)F)C(F)(F)F.
What is the InChIKey of ethyl 3,3,3-trifluoro-2-(3,3,3-trifluoro-2-prop-2-enoxypropoxy)propanoate?
The InChIKey is FZAOYOMLHCUTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F6O4/c1-3-5-20-7(10(12,13)14)6-21-8(11(15,16)17)9(18)19-4-2/h3,7-8H,1,4-6H2,2H3.
What are the key properties of ethyl 3,3,3-trifluoro-2-(3,3,3-trifluoro-2-prop-2-enoxypropoxy)propanoate?
ethyl 3,3,3-trifluoro-2-(3,3,3-trifluoro-2-prop-2-enoxypropoxy)propanoate has a molecular weight of 324.22 g/mol, XLogP of 2.63, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,3,3-trifluoro-2-(3,3,3-trifluoro-2-prop-2-enoxypropoxy)propanoate is sourced from PubChem (CID 87837926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).