ethyl (Z)-3,4,4,5,5,6,6,6-octafluorohex-2-enoate

C8H6F8O2 — CID 15263170

IUPACethyl (Z)-3,4,4,5,5,6,6,6-octafluorohex-2-enoate
SMILESCCOC(=O)/C=C(\F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H6F8O2/c1-2-18-5(17)3-4(9)6(10,11)7(12,13)8(14,15)16/h3H,2H2,1H3/b4-3-
InChIKeyQYIQNCVPZHQYIP-ARJAWSKDSA-N
MW286.12 g/mol
LogP3.24
Rot. Bonds4

About ethyl (Z)-3,4,4,5,5,6,6,6-octafluorohex-2-enoate

ethyl (Z)-3,4,4,5,5,6,6,6-octafluorohex-2-enoate (PubChem CID 15263170) has the molecular formula C8H6F8O2 and a molecular weight of 286.12 g/mol. Its IUPAC name is ethyl (Z)-3,4,4,5,5,6,6,6-octafluorohex-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3,4,4,5,5,6,6,6-octafluorohex-2-enoate
PubChem CID15263170
Molecular FormulaC8H6F8O2
Molecular Weight286.12 g/mol
Exact Mass286.02
IUPAC Nameethyl (Z)-3,4,4,5,5,6,6,6-octafluorohex-2-enoate
SMILESCCOC(=O)/C=C(\F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H6F8O2/c1-2-18-5(17)3-4(9)6(10,11)7(12,13)8(14,15)16/h3H,2H2,1H3/b4-3-
InChIKeyQYIQNCVPZHQYIP-ARJAWSKDSA-N
XLogP3.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3,4,4,5,5,6,6,6-octafluorohex-2-enoate?
The IUPAC name of ethyl (Z)-3,4,4,5,5,6,6,6-octafluorohex-2-enoate (CID 15263170) is ethyl (Z)-3,4,4,5,5,6,6,6-octafluorohex-2-enoate.
What is the SMILES notation for ethyl (Z)-3,4,4,5,5,6,6,6-octafluorohex-2-enoate?
The canonical SMILES for ethyl (Z)-3,4,4,5,5,6,6,6-octafluorohex-2-enoate is CCOC(=O)/C=C(\F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of ethyl (Z)-3,4,4,5,5,6,6,6-octafluorohex-2-enoate?
The InChIKey is QYIQNCVPZHQYIP-ARJAWSKDSA-N. The full InChI is InChI=1S/C8H6F8O2/c1-2-18-5(17)3-4(9)6(10,11)7(12,13)8(14,15)16/h3H,2H2,1H3/b4-3-.
What are the key properties of ethyl (Z)-3,4,4,5,5,6,6,6-octafluorohex-2-enoate?
ethyl (Z)-3,4,4,5,5,6,6,6-octafluorohex-2-enoate has a molecular weight of 286.12 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3,4,4,5,5,6,6,6-octafluorohex-2-enoate is sourced from PubChem (CID 15263170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).