[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoropropoxy)ethyl]cyclohexane

C11H14F8O — CID 58436054

IUPAC[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoropropoxy)ethyl]cyclohexane
SMILESCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C1CCCCC1
InChIInChI=1S/C11H14F8O/c1-8(12,13)10(16,17)20-11(18,19)9(14,15)7-5-3-2-4-6-7/h7H,2-6H2,1H3
InChIKeyLECGQZGFJBMKTE-UHFFFAOYSA-N
MW314.22 g/mol
LogP5.06
Rot. Bonds5

About [1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoropropoxy)ethyl]cyclohexane

[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoropropoxy)ethyl]cyclohexane (PubChem CID 58436054) has the molecular formula C11H14F8O and a molecular weight of 314.22 g/mol. Its IUPAC name is [1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoropropoxy)ethyl]cyclohexane.

Molecular Properties

Compound Name[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoropropoxy)ethyl]cyclohexane
PubChem CID58436054
Molecular FormulaC11H14F8O
Molecular Weight314.22 g/mol
Exact Mass314.09
IUPAC Name[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoropropoxy)ethyl]cyclohexane
SMILESCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C1CCCCC1
InChIInChI=1S/C11H14F8O/c1-8(12,13)10(16,17)20-11(18,19)9(14,15)7-5-3-2-4-6-7/h7H,2-6H2,1H3
InChIKeyLECGQZGFJBMKTE-UHFFFAOYSA-N
XLogP5.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.22
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoropropoxy)ethyl]cyclohexane?
The IUPAC name of [1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoropropoxy)ethyl]cyclohexane (CID 58436054) is [1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoropropoxy)ethyl]cyclohexane.
What is the SMILES notation for [1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoropropoxy)ethyl]cyclohexane?
The canonical SMILES for [1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoropropoxy)ethyl]cyclohexane is CC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C1CCCCC1.
What is the InChIKey of [1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoropropoxy)ethyl]cyclohexane?
The InChIKey is LECGQZGFJBMKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F8O/c1-8(12,13)10(16,17)20-11(18,19)9(14,15)7-5-3-2-4-6-7/h7H,2-6H2,1H3.
What are the key properties of [1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoropropoxy)ethyl]cyclohexane?
[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoropropoxy)ethyl]cyclohexane has a molecular weight of 314.22 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoropropoxy)ethyl]cyclohexane is sourced from PubChem (CID 58436054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).