[1,2,2,3-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl] prop-2-enoate

C9H5F11O3 — CID 88517162

IUPAC[1,2,2,3-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl] prop-2-enoate
SMILESC=CC(=O)OC(F)C(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H5F11O3/c1-2-3(21)22-4(10)6(12,13)5(11)23-9(19,20)7(14,15)8(16,17)18/h2,4-5H,1H2
InChIKeyNEBILMIAJNZHJB-UHFFFAOYSA-N
MW370.11 g/mol
LogP3.75
Rot. Bonds7

About [1,2,2,3-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl] prop-2-enoate

[1,2,2,3-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl] prop-2-enoate (PubChem CID 88517162) has the molecular formula C9H5F11O3 and a molecular weight of 370.11 g/mol. Its IUPAC name is [1,2,2,3-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl] prop-2-enoate.

Molecular Properties

Compound Name[1,2,2,3-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl] prop-2-enoate
PubChem CID88517162
Molecular FormulaC9H5F11O3
Molecular Weight370.11 g/mol
Exact Mass370.01
IUPAC Name[1,2,2,3-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl] prop-2-enoate
SMILESC=CC(=O)OC(F)C(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H5F11O3/c1-2-3(21)22-4(10)6(12,13)5(11)23-9(19,20)7(14,15)8(16,17)18/h2,4-5H,1H2
InChIKeyNEBILMIAJNZHJB-UHFFFAOYSA-N
XLogP3.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.11
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [1,2,2,3-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl] prop-2-enoate?
The IUPAC name of [1,2,2,3-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl] prop-2-enoate (CID 88517162) is [1,2,2,3-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl] prop-2-enoate.
What is the SMILES notation for [1,2,2,3-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl] prop-2-enoate?
The canonical SMILES for [1,2,2,3-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl] prop-2-enoate is C=CC(=O)OC(F)C(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of [1,2,2,3-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl] prop-2-enoate?
The InChIKey is NEBILMIAJNZHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F11O3/c1-2-3(21)22-4(10)6(12,13)5(11)23-9(19,20)7(14,15)8(16,17)18/h2,4-5H,1H2.
What are the key properties of [1,2,2,3-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl] prop-2-enoate?
[1,2,2,3-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl] prop-2-enoate has a molecular weight of 370.11 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2,2,3-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl] prop-2-enoate is sourced from PubChem (CID 88517162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).