1-cyclohexylethyl 2,2,3,3,3-pentafluoropropanoate

C11H15F5O2 — CID 91698145

IUPAC1-cyclohexylethyl 2,2,3,3,3-pentafluoropropanoate
SMILESCC(OC(=O)C(F)(F)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C11H15F5O2/c1-7(8-5-3-2-4-6-8)18-9(17)10(12,13)11(14,15)16/h7-8H,2-6H2,1H3
InChIKeyAAJSGEGVCLIBIL-UHFFFAOYSA-N
MW274.23 g/mol
LogP3.70
Rot. Bonds3

About 1-cyclohexylethyl 2,2,3,3,3-pentafluoropropanoate

1-cyclohexylethyl 2,2,3,3,3-pentafluoropropanoate (PubChem CID 91698145) has the molecular formula C11H15F5O2 and a molecular weight of 274.23 g/mol. Its IUPAC name is 1-cyclohexylethyl 2,2,3,3,3-pentafluoropropanoate.

Molecular Properties

Compound Name1-cyclohexylethyl 2,2,3,3,3-pentafluoropropanoate
PubChem CID91698145
Molecular FormulaC11H15F5O2
Molecular Weight274.23 g/mol
Exact Mass274.10
IUPAC Name1-cyclohexylethyl 2,2,3,3,3-pentafluoropropanoate
SMILESCC(OC(=O)C(F)(F)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C11H15F5O2/c1-7(8-5-3-2-4-6-8)18-9(17)10(12,13)11(14,15)16/h7-8H,2-6H2,1H3
InChIKeyAAJSGEGVCLIBIL-UHFFFAOYSA-N
XLogP3.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-cyclohexylethyl 2,2,3,3,3-pentafluoropropanoate?
The IUPAC name of 1-cyclohexylethyl 2,2,3,3,3-pentafluoropropanoate (CID 91698145) is 1-cyclohexylethyl 2,2,3,3,3-pentafluoropropanoate.
What is the SMILES notation for 1-cyclohexylethyl 2,2,3,3,3-pentafluoropropanoate?
The canonical SMILES for 1-cyclohexylethyl 2,2,3,3,3-pentafluoropropanoate is CC(OC(=O)C(F)(F)C(F)(F)F)C1CCCCC1.
What is the InChIKey of 1-cyclohexylethyl 2,2,3,3,3-pentafluoropropanoate?
The InChIKey is AAJSGEGVCLIBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F5O2/c1-7(8-5-3-2-4-6-8)18-9(17)10(12,13)11(14,15)16/h7-8H,2-6H2,1H3.
What are the key properties of 1-cyclohexylethyl 2,2,3,3,3-pentafluoropropanoate?
1-cyclohexylethyl 2,2,3,3,3-pentafluoropropanoate has a molecular weight of 274.23 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylethyl 2,2,3,3,3-pentafluoropropanoate is sourced from PubChem (CID 91698145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).