(1-cyclohexyloxy-1,2,2,3,3,3-hexafluoropropoxy)cyclohexane

C15H22F6O2 — CID 91248631

IUPAC(1-cyclohexyloxy-1,2,2,3,3,3-hexafluoropropoxy)cyclohexane
SMILESFC(F)(F)C(F)(F)C(F)(OC1CCCCC1)OC1CCCCC1
InChIInChI=1S/C15H22F6O2/c16-13(17,14(18,19)20)15(21,22-11-7-3-1-4-8-11)23-12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKeyKJHZGMATLFUXEM-UHFFFAOYSA-N
MW348.33 g/mol
LogP5.51
Rot. Bonds5

About (1-cyclohexyloxy-1,2,2,3,3,3-hexafluoropropoxy)cyclohexane

(1-cyclohexyloxy-1,2,2,3,3,3-hexafluoropropoxy)cyclohexane (PubChem CID 91248631) has the molecular formula C15H22F6O2 and a molecular weight of 348.33 g/mol. Its IUPAC name is (1-cyclohexyloxy-1,2,2,3,3,3-hexafluoropropoxy)cyclohexane.

Molecular Properties

Compound Name(1-cyclohexyloxy-1,2,2,3,3,3-hexafluoropropoxy)cyclohexane
PubChem CID91248631
Molecular FormulaC15H22F6O2
Molecular Weight348.33 g/mol
Exact Mass348.15
IUPAC Name(1-cyclohexyloxy-1,2,2,3,3,3-hexafluoropropoxy)cyclohexane
SMILESFC(F)(F)C(F)(F)C(F)(OC1CCCCC1)OC1CCCCC1
InChIInChI=1S/C15H22F6O2/c16-13(17,14(18,19)20)15(21,22-11-7-3-1-4-8-11)23-12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKeyKJHZGMATLFUXEM-UHFFFAOYSA-N
XLogP5.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.33
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyloxy-1,2,2,3,3,3-hexafluoropropoxy)cyclohexane?
The IUPAC name of (1-cyclohexyloxy-1,2,2,3,3,3-hexafluoropropoxy)cyclohexane (CID 91248631) is (1-cyclohexyloxy-1,2,2,3,3,3-hexafluoropropoxy)cyclohexane.
What is the SMILES notation for (1-cyclohexyloxy-1,2,2,3,3,3-hexafluoropropoxy)cyclohexane?
The canonical SMILES for (1-cyclohexyloxy-1,2,2,3,3,3-hexafluoropropoxy)cyclohexane is FC(F)(F)C(F)(F)C(F)(OC1CCCCC1)OC1CCCCC1.
What is the InChIKey of (1-cyclohexyloxy-1,2,2,3,3,3-hexafluoropropoxy)cyclohexane?
The InChIKey is KJHZGMATLFUXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F6O2/c16-13(17,14(18,19)20)15(21,22-11-7-3-1-4-8-11)23-12-9-5-2-6-10-12/h11-12H,1-10H2.
What are the key properties of (1-cyclohexyloxy-1,2,2,3,3,3-hexafluoropropoxy)cyclohexane?
(1-cyclohexyloxy-1,2,2,3,3,3-hexafluoropropoxy)cyclohexane has a molecular weight of 348.33 g/mol, XLogP of 5.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexyloxy-1,2,2,3,3,3-hexafluoropropoxy)cyclohexane is sourced from PubChem (CID 91248631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).