1-(ethenoxymethyl)-4-(1,1,2,2,3,3-hexafluoropropoxymethyl)cyclohexane

C13H18F6O2 — CID 141025340

IUPAC1-(ethenoxymethyl)-4-(1,1,2,2,3,3-hexafluoropropoxymethyl)cyclohexane
SMILESC=COCC1CCC(COC(F)(F)C(F)(F)C(F)F)CC1
InChIInChI=1S/C13H18F6O2/c1-2-20-7-9-3-5-10(6-4-9)8-21-13(18,19)12(16,17)11(14)15/h2,9-11H,1,3-8H2
InChIKeyKDTCZYLRGDKSMH-UHFFFAOYSA-N
MW320.27 g/mol
LogP4.46
Rot. Bonds8

About 1-(ethenoxymethyl)-4-(1,1,2,2,3,3-hexafluoropropoxymethyl)cyclohexane

1-(ethenoxymethyl)-4-(1,1,2,2,3,3-hexafluoropropoxymethyl)cyclohexane (PubChem CID 141025340) has the molecular formula C13H18F6O2 and a molecular weight of 320.27 g/mol. Its IUPAC name is 1-(ethenoxymethyl)-4-(1,1,2,2,3,3-hexafluoropropoxymethyl)cyclohexane.

Molecular Properties

Compound Name1-(ethenoxymethyl)-4-(1,1,2,2,3,3-hexafluoropropoxymethyl)cyclohexane
PubChem CID141025340
Molecular FormulaC13H18F6O2
Molecular Weight320.27 g/mol
Exact Mass320.12
IUPAC Name1-(ethenoxymethyl)-4-(1,1,2,2,3,3-hexafluoropropoxymethyl)cyclohexane
SMILESC=COCC1CCC(COC(F)(F)C(F)(F)C(F)F)CC1
InChIInChI=1S/C13H18F6O2/c1-2-20-7-9-3-5-10(6-4-9)8-21-13(18,19)12(16,17)11(14)15/h2,9-11H,1,3-8H2
InChIKeyKDTCZYLRGDKSMH-UHFFFAOYSA-N
XLogP4.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(ethenoxymethyl)-4-(1,1,2,2,3,3-hexafluoropropoxymethyl)cyclohexane?
The IUPAC name of 1-(ethenoxymethyl)-4-(1,1,2,2,3,3-hexafluoropropoxymethyl)cyclohexane (CID 141025340) is 1-(ethenoxymethyl)-4-(1,1,2,2,3,3-hexafluoropropoxymethyl)cyclohexane.
What is the SMILES notation for 1-(ethenoxymethyl)-4-(1,1,2,2,3,3-hexafluoropropoxymethyl)cyclohexane?
The canonical SMILES for 1-(ethenoxymethyl)-4-(1,1,2,2,3,3-hexafluoropropoxymethyl)cyclohexane is C=COCC1CCC(COC(F)(F)C(F)(F)C(F)F)CC1.
What is the InChIKey of 1-(ethenoxymethyl)-4-(1,1,2,2,3,3-hexafluoropropoxymethyl)cyclohexane?
The InChIKey is KDTCZYLRGDKSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F6O2/c1-2-20-7-9-3-5-10(6-4-9)8-21-13(18,19)12(16,17)11(14)15/h2,9-11H,1,3-8H2.
What are the key properties of 1-(ethenoxymethyl)-4-(1,1,2,2,3,3-hexafluoropropoxymethyl)cyclohexane?
1-(ethenoxymethyl)-4-(1,1,2,2,3,3-hexafluoropropoxymethyl)cyclohexane has a molecular weight of 320.27 g/mol, XLogP of 4.46, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethenoxymethyl)-4-(1,1,2,2,3,3-hexafluoropropoxymethyl)cyclohexane is sourced from PubChem (CID 141025340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).