(2-ethenoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexane

C11H14F6O — CID 58776680

IUPAC(2-ethenoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexane
SMILESC=COC(C1CCCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H14F6O/c1-2-18-9(10(12,13)14,11(15,16)17)8-6-4-3-5-7-8/h2,8H,1,3-7H2
InChIKeyOYBQKXREOLPOCV-UHFFFAOYSA-N
MW276.22 g/mol
LogP4.59
Rot. Bonds3

About (2-ethenoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexane

(2-ethenoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexane (PubChem CID 58776680) has the molecular formula C11H14F6O and a molecular weight of 276.22 g/mol. Its IUPAC name is (2-ethenoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexane.

Molecular Properties

Compound Name(2-ethenoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexane
PubChem CID58776680
Molecular FormulaC11H14F6O
Molecular Weight276.22 g/mol
Exact Mass276.09
IUPAC Name(2-ethenoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexane
SMILESC=COC(C1CCCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H14F6O/c1-2-18-9(10(12,13)14,11(15,16)17)8-6-4-3-5-7-8/h2,8H,1,3-7H2
InChIKeyOYBQKXREOLPOCV-UHFFFAOYSA-N
XLogP4.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-ethenoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexane?
The IUPAC name of (2-ethenoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexane (CID 58776680) is (2-ethenoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexane.
What is the SMILES notation for (2-ethenoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexane?
The canonical SMILES for (2-ethenoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexane is C=COC(C1CCCCC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (2-ethenoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexane?
The InChIKey is OYBQKXREOLPOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F6O/c1-2-18-9(10(12,13)14,11(15,16)17)8-6-4-3-5-7-8/h2,8H,1,3-7H2.
What are the key properties of (2-ethenoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexane?
(2-ethenoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexane has a molecular weight of 276.22 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethenoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexane is sourced from PubChem (CID 58776680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).