diethyl (7S)-7-ethenyl-2,2,8,8-tetrafluorodec-4-enedioate

C16H22F4O4 — CID 162403591

IUPACdiethyl (7S)-7-ethenyl-2,2,8,8-tetrafluorodec-4-enedioate
SMILESC=C[C@H](CC=CCC(F)(F)C(=O)OCC)C(F)(F)CC(=O)OCC
InChIInChI=1S/C16H22F4O4/c1-4-12(16(19,20)11-13(21)23-5-2)9-7-8-10-15(17,18)14(22)24-6-3/h4,7-8,12H,1,5-6,9-11H2,2-3H3/t12-/m1/s1
InChIKeyKVTSAJCOKQPRBT-GFCCVEGCSA-N
MW354.34 g/mol
LogP3.91
Rot. Bonds11

About diethyl (7S)-7-ethenyl-2,2,8,8-tetrafluorodec-4-enedioate

diethyl (7S)-7-ethenyl-2,2,8,8-tetrafluorodec-4-enedioate (PubChem CID 162403591) has the molecular formula C16H22F4O4 and a molecular weight of 354.34 g/mol. Its IUPAC name is diethyl (7S)-7-ethenyl-2,2,8,8-tetrafluorodec-4-enedioate.

Molecular Properties

Compound Namediethyl (7S)-7-ethenyl-2,2,8,8-tetrafluorodec-4-enedioate
PubChem CID162403591
Molecular FormulaC16H22F4O4
Molecular Weight354.34 g/mol
Exact Mass354.15
IUPAC Namediethyl (7S)-7-ethenyl-2,2,8,8-tetrafluorodec-4-enedioate
SMILESC=C[C@H](CC=CCC(F)(F)C(=O)OCC)C(F)(F)CC(=O)OCC
InChIInChI=1S/C16H22F4O4/c1-4-12(16(19,20)11-13(21)23-5-2)9-7-8-10-15(17,18)14(22)24-6-3/h4,7-8,12H,1,5-6,9-11H2,2-3H3/t12-/m1/s1
InChIKeyKVTSAJCOKQPRBT-GFCCVEGCSA-N
XLogP3.91
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 53.91
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 diethyl (7S)-7-ethenyl-2,2,8,8-tetrafluorodec-4-enedioate?
The IUPAC name of diethyl (7S)-7-ethenyl-2,2,8,8-tetrafluorodec-4-enedioate (CID 162403591) is diethyl (7S)-7-ethenyl-2,2,8,8-tetrafluorodec-4-enedioate.
What is the SMILES notation for diethyl (7S)-7-ethenyl-2,2,8,8-tetrafluorodec-4-enedioate?
The canonical SMILES for diethyl (7S)-7-ethenyl-2,2,8,8-tetrafluorodec-4-enedioate is C=C[C@H](CC=CCC(F)(F)C(=O)OCC)C(F)(F)CC(=O)OCC.
What is the InChIKey of diethyl (7S)-7-ethenyl-2,2,8,8-tetrafluorodec-4-enedioate?
The InChIKey is KVTSAJCOKQPRBT-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22F4O4/c1-4-12(16(19,20)11-13(21)23-5-2)9-7-8-10-15(17,18)14(22)24-6-3/h4,7-8,12H,1,5-6,9-11H2,2-3H3/t12-/m1/s1.
What are the key properties of diethyl (7S)-7-ethenyl-2,2,8,8-tetrafluorodec-4-enedioate?
diethyl (7S)-7-ethenyl-2,2,8,8-tetrafluorodec-4-enedioate has a molecular weight of 354.34 g/mol, XLogP of 3.91, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (7S)-7-ethenyl-2,2,8,8-tetrafluorodec-4-enedioate is sourced from PubChem (CID 162403591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).