ethyl (2E,4E)-6,6,7,7-tetrafluoro-2-methylhepta-2,4-dienoate

C10H12F4O2 — CID 15215965

IUPACethyl (2E,4E)-6,6,7,7-tetrafluoro-2-methylhepta-2,4-dienoate
SMILESCCOC(=O)/C(C)=C/C=C/C(F)(F)C(F)F
InChIInChI=1S/C10H12F4O2/c1-3-16-8(15)7(2)5-4-6-10(13,14)9(11)12/h4-6,9H,3H2,1-2H3/b6-4+,7-5+
InChIKeyVCDLPUJYJLNDPI-YDFGWWAZSA-N
MW240.20 g/mol
LogP2.95
Rot. Bonds5

About ethyl (2E,4E)-6,6,7,7-tetrafluoro-2-methylhepta-2,4-dienoate

ethyl (2E,4E)-6,6,7,7-tetrafluoro-2-methylhepta-2,4-dienoate (PubChem CID 15215965) has the molecular formula C10H12F4O2 and a molecular weight of 240.20 g/mol. Its IUPAC name is ethyl (2E,4E)-6,6,7,7-tetrafluoro-2-methylhepta-2,4-dienoate.

Molecular Properties

Compound Nameethyl (2E,4E)-6,6,7,7-tetrafluoro-2-methylhepta-2,4-dienoate
PubChem CID15215965
Molecular FormulaC10H12F4O2
Molecular Weight240.20 g/mol
Exact Mass240.08
IUPAC Nameethyl (2E,4E)-6,6,7,7-tetrafluoro-2-methylhepta-2,4-dienoate
SMILESCCOC(=O)/C(C)=C/C=C/C(F)(F)C(F)F
InChIInChI=1S/C10H12F4O2/c1-3-16-8(15)7(2)5-4-6-10(13,14)9(11)12/h4-6,9H,3H2,1-2H3/b6-4+,7-5+
InChIKeyVCDLPUJYJLNDPI-YDFGWWAZSA-N
XLogP2.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.20
LogP ≤ 52.95
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

diethyl (2E,4E,6E)-2,7-dimethylocta-2,4,6-trienedioate
CID 14755504
ethyl 4,4,5,5-tetrafluoropent-2-enoate
CID 123355611
ethyl (2E,4E)-2,7-dimethylocta-2,4-dienoate
CID 88840952
diethyl (2E,4E,6E,8E,10E,12E,14Z)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
CID 59805033
diethyl 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
CID 73069762
ethyl (2E,4E)-2-methylhepta-2,4-dien-6-ynoate
CID 11816044
diethyl (2E,4E,6E,8E,10E,12E)-2,4,9,13-tetramethyltetradeca-2,4,6,8,10,12-hexaenedioate
CID 11717423
ethyl (2E,4E,6E,8E,10E,12E)-2,6,11-trimethyl-14-oxotetradeca-2,4,6,8,10,12-hexaenoate
CID 102293193
ethyl 2-methyl-3-(2,2,2-trifluoroacetyl)oxyprop-2-enoate
CID 57075725
ethyl 3-amino-2-methylprop-2-enoate
CID 54558291
ethyl (E)-2-methylpent-2-enoate
CID 6436311
ethyl 2-methyl-3-silylprop-2-enoate
CID 173118701

Frequently Asked Questions

What is the IUPAC name of ethyl (2E,4E)-6,6,7,7-tetrafluoro-2-methylhepta-2,4-dienoate?
The IUPAC name of ethyl (2E,4E)-6,6,7,7-tetrafluoro-2-methylhepta-2,4-dienoate (CID 15215965) is ethyl (2E,4E)-6,6,7,7-tetrafluoro-2-methylhepta-2,4-dienoate.
What is the SMILES notation for ethyl (2E,4E)-6,6,7,7-tetrafluoro-2-methylhepta-2,4-dienoate?
The canonical SMILES for ethyl (2E,4E)-6,6,7,7-tetrafluoro-2-methylhepta-2,4-dienoate is CCOC(=O)/C(C)=C/C=C/C(F)(F)C(F)F.
What is the InChIKey of ethyl (2E,4E)-6,6,7,7-tetrafluoro-2-methylhepta-2,4-dienoate?
The InChIKey is VCDLPUJYJLNDPI-YDFGWWAZSA-N. The full InChI is InChI=1S/C10H12F4O2/c1-3-16-8(15)7(2)5-4-6-10(13,14)9(11)12/h4-6,9H,3H2,1-2H3/b6-4+,7-5+.
What are the key properties of ethyl (2E,4E)-6,6,7,7-tetrafluoro-2-methylhepta-2,4-dienoate?
ethyl (2E,4E)-6,6,7,7-tetrafluoro-2-methylhepta-2,4-dienoate has a molecular weight of 240.20 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E,4E)-6,6,7,7-tetrafluoro-2-methylhepta-2,4-dienoate is sourced from PubChem (CID 15215965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).