5,5,6,6-tetrafluorohexyl cyclohexanecarboxylate

C13H20F4O2 — CID 58568327

IUPAC5,5,6,6-tetrafluorohexyl cyclohexanecarboxylate
SMILESO=C(OCCCCC(F)(F)C(F)F)C1CCCCC1
InChIInChI=1S/C13H20F4O2/c14-12(15)13(16,17)8-4-5-9-19-11(18)10-6-2-1-3-7-10/h10,12H,1-9H2
InChIKeyJZVGYRIYYZIUJX-UHFFFAOYSA-N
MW284.29 g/mol
LogP4.18
Rot. Bonds7

About 5,5,6,6-tetrafluorohexyl cyclohexanecarboxylate

5,5,6,6-tetrafluorohexyl cyclohexanecarboxylate (PubChem CID 58568327) has the molecular formula C13H20F4O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 5,5,6,6-tetrafluorohexyl cyclohexanecarboxylate.

Molecular Properties

Compound Name5,5,6,6-tetrafluorohexyl cyclohexanecarboxylate
PubChem CID58568327
Molecular FormulaC13H20F4O2
Molecular Weight284.29 g/mol
Exact Mass284.14
IUPAC Name5,5,6,6-tetrafluorohexyl cyclohexanecarboxylate
SMILESO=C(OCCCCC(F)(F)C(F)F)C1CCCCC1
InChIInChI=1S/C13H20F4O2/c14-12(15)13(16,17)8-4-5-9-19-11(18)10-6-2-1-3-7-10/h10,12H,1-9H2
InChIKeyJZVGYRIYYZIUJX-UHFFFAOYSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5,6,6-tetrafluorohexyl cyclohexanecarboxylate?
The IUPAC name of 5,5,6,6-tetrafluorohexyl cyclohexanecarboxylate (CID 58568327) is 5,5,6,6-tetrafluorohexyl cyclohexanecarboxylate.
What is the SMILES notation for 5,5,6,6-tetrafluorohexyl cyclohexanecarboxylate?
The canonical SMILES for 5,5,6,6-tetrafluorohexyl cyclohexanecarboxylate is O=C(OCCCCC(F)(F)C(F)F)C1CCCCC1.
What is the InChIKey of 5,5,6,6-tetrafluorohexyl cyclohexanecarboxylate?
The InChIKey is JZVGYRIYYZIUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F4O2/c14-12(15)13(16,17)8-4-5-9-19-11(18)10-6-2-1-3-7-10/h10,12H,1-9H2.
What are the key properties of 5,5,6,6-tetrafluorohexyl cyclohexanecarboxylate?
5,5,6,6-tetrafluorohexyl cyclohexanecarboxylate has a molecular weight of 284.29 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6-tetrafluorohexyl cyclohexanecarboxylate is sourced from PubChem (CID 58568327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).