ethyl (Z)-3,4,4,4-tetrafluoro-2-methylbut-2-enoate

C7H8F4O2 — CID 13267241

IUPACethyl (Z)-3,4,4,4-tetrafluoro-2-methylbut-2-enoate
SMILESCCOC(=O)/C(C)=C(\F)C(F)(F)F
InChIInChI=1S/C7H8F4O2/c1-3-13-6(12)4(2)5(8)7(9,10)11/h3H2,1-2H3/b5-4-
InChIKeyUBIPILSNEAKXNJ-PLNGDYQASA-N
MW200.13 g/mol
LogP2.36
Rot. Bonds2

About ethyl (Z)-3,4,4,4-tetrafluoro-2-methylbut-2-enoate

ethyl (Z)-3,4,4,4-tetrafluoro-2-methylbut-2-enoate (PubChem CID 13267241) has the molecular formula C7H8F4O2 and a molecular weight of 200.13 g/mol. Its IUPAC name is ethyl (Z)-3,4,4,4-tetrafluoro-2-methylbut-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3,4,4,4-tetrafluoro-2-methylbut-2-enoate
PubChem CID13267241
Molecular FormulaC7H8F4O2
Molecular Weight200.13 g/mol
Exact Mass200.05
IUPAC Nameethyl (Z)-3,4,4,4-tetrafluoro-2-methylbut-2-enoate
SMILESCCOC(=O)/C(C)=C(\F)C(F)(F)F
InChIInChI=1S/C7H8F4O2/c1-3-13-6(12)4(2)5(8)7(9,10)11/h3H2,1-2H3/b5-4-
InChIKeyUBIPILSNEAKXNJ-PLNGDYQASA-N
XLogP2.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.13
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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2-Butenoic acid, 2-fluoro-3-methyl-, ethyl ester
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Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3,4,4,4-tetrafluoro-2-methylbut-2-enoate?
The IUPAC name of ethyl (Z)-3,4,4,4-tetrafluoro-2-methylbut-2-enoate (CID 13267241) is ethyl (Z)-3,4,4,4-tetrafluoro-2-methylbut-2-enoate.
What is the SMILES notation for ethyl (Z)-3,4,4,4-tetrafluoro-2-methylbut-2-enoate?
The canonical SMILES for ethyl (Z)-3,4,4,4-tetrafluoro-2-methylbut-2-enoate is CCOC(=O)/C(C)=C(\F)C(F)(F)F.
What is the InChIKey of ethyl (Z)-3,4,4,4-tetrafluoro-2-methylbut-2-enoate?
The InChIKey is UBIPILSNEAKXNJ-PLNGDYQASA-N. The full InChI is InChI=1S/C7H8F4O2/c1-3-13-6(12)4(2)5(8)7(9,10)11/h3H2,1-2H3/b5-4-.
What are the key properties of ethyl (Z)-3,4,4,4-tetrafluoro-2-methylbut-2-enoate?
ethyl (Z)-3,4,4,4-tetrafluoro-2-methylbut-2-enoate has a molecular weight of 200.13 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3,4,4,4-tetrafluoro-2-methylbut-2-enoate is sourced from PubChem (CID 13267241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).