ethyl 3,3,4,4-tetrafluoro-2-(2-methoxyethyl)cyclobutene-1-carboxylate

C10H12F4O3 — CID 87382689

IUPACethyl 3,3,4,4-tetrafluoro-2-(2-methoxyethyl)cyclobutene-1-carboxylate
SMILESCCOC(=O)C1=C(CCOC)C(F)(F)C1(F)F
InChIInChI=1S/C10H12F4O3/c1-3-17-8(15)7-6(4-5-16-2)9(11,12)10(7,13)14/h3-5H2,1-2H3
InChIKeyWGOJARIXFICXFU-UHFFFAOYSA-N
MW256.19 g/mol
LogP2.17
Rot. Bonds5

About ethyl 3,3,4,4-tetrafluoro-2-(2-methoxyethyl)cyclobutene-1-carboxylate

ethyl 3,3,4,4-tetrafluoro-2-(2-methoxyethyl)cyclobutene-1-carboxylate (PubChem CID 87382689) has the molecular formula C10H12F4O3 and a molecular weight of 256.19 g/mol. Its IUPAC name is ethyl 3,3,4,4-tetrafluoro-2-(2-methoxyethyl)cyclobutene-1-carboxylate.

Molecular Properties

Compound Nameethyl 3,3,4,4-tetrafluoro-2-(2-methoxyethyl)cyclobutene-1-carboxylate
PubChem CID87382689
Molecular FormulaC10H12F4O3
Molecular Weight256.19 g/mol
Exact Mass256.07
IUPAC Nameethyl 3,3,4,4-tetrafluoro-2-(2-methoxyethyl)cyclobutene-1-carboxylate
SMILESCCOC(=O)C1=C(CCOC)C(F)(F)C1(F)F
InChIInChI=1S/C10H12F4O3/c1-3-17-8(15)7-6(4-5-16-2)9(11,12)10(7,13)14/h3-5H2,1-2H3
InChIKeyWGOJARIXFICXFU-UHFFFAOYSA-N
XLogP2.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 3,3,4,4-tetrafluoro-2-(2-methoxyethyl)cyclobutene-1-carboxylate?
The IUPAC name of ethyl 3,3,4,4-tetrafluoro-2-(2-methoxyethyl)cyclobutene-1-carboxylate (CID 87382689) is ethyl 3,3,4,4-tetrafluoro-2-(2-methoxyethyl)cyclobutene-1-carboxylate.
What is the SMILES notation for ethyl 3,3,4,4-tetrafluoro-2-(2-methoxyethyl)cyclobutene-1-carboxylate?
The canonical SMILES for ethyl 3,3,4,4-tetrafluoro-2-(2-methoxyethyl)cyclobutene-1-carboxylate is CCOC(=O)C1=C(CCOC)C(F)(F)C1(F)F.
What is the InChIKey of ethyl 3,3,4,4-tetrafluoro-2-(2-methoxyethyl)cyclobutene-1-carboxylate?
The InChIKey is WGOJARIXFICXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F4O3/c1-3-17-8(15)7-6(4-5-16-2)9(11,12)10(7,13)14/h3-5H2,1-2H3.
What are the key properties of ethyl 3,3,4,4-tetrafluoro-2-(2-methoxyethyl)cyclobutene-1-carboxylate?
ethyl 3,3,4,4-tetrafluoro-2-(2-methoxyethyl)cyclobutene-1-carboxylate has a molecular weight of 256.19 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,3,4,4-tetrafluoro-2-(2-methoxyethyl)cyclobutene-1-carboxylate is sourced from PubChem (CID 87382689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).