1-cyclohexyl-2-(2,2,3,3,3-pentafluoropropoxy)ethanone

C11H15F5O2 — CID 104752153

IUPAC1-cyclohexyl-2-(2,2,3,3,3-pentafluoropropoxy)ethanone
SMILESO=C(COCC(F)(F)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C11H15F5O2/c12-10(13,11(14,15)16)7-18-6-9(17)8-4-2-1-3-5-8/h8H,1-7H2
InChIKeyMYEQKCALOOFBJE-UHFFFAOYSA-N
MW274.23 g/mol
LogP3.35
Rot. Bonds5

About 1-cyclohexyl-2-(2,2,3,3,3-pentafluoropropoxy)ethanone

1-cyclohexyl-2-(2,2,3,3,3-pentafluoropropoxy)ethanone (PubChem CID 104752153) has the molecular formula C11H15F5O2 and a molecular weight of 274.23 g/mol. Its IUPAC name is 1-cyclohexyl-2-(2,2,3,3,3-pentafluoropropoxy)ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-(2,2,3,3,3-pentafluoropropoxy)ethanone
PubChem CID104752153
Molecular FormulaC11H15F5O2
Molecular Weight274.23 g/mol
Exact Mass274.10
IUPAC Name1-cyclohexyl-2-(2,2,3,3,3-pentafluoropropoxy)ethanone
SMILESO=C(COCC(F)(F)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C11H15F5O2/c12-10(13,11(14,15)16)7-18-6-9(17)8-4-2-1-3-5-8/h8H,1-7H2
InChIKeyMYEQKCALOOFBJE-UHFFFAOYSA-N
XLogP3.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 53.35
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-cyclohexyl-2-(2,2,3,3,3-pentafluoropropoxy)ethanone?
The IUPAC name of 1-cyclohexyl-2-(2,2,3,3,3-pentafluoropropoxy)ethanone (CID 104752153) is 1-cyclohexyl-2-(2,2,3,3,3-pentafluoropropoxy)ethanone.
What is the SMILES notation for 1-cyclohexyl-2-(2,2,3,3,3-pentafluoropropoxy)ethanone?
The canonical SMILES for 1-cyclohexyl-2-(2,2,3,3,3-pentafluoropropoxy)ethanone is O=C(COCC(F)(F)C(F)(F)F)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(2,2,3,3,3-pentafluoropropoxy)ethanone?
The InChIKey is MYEQKCALOOFBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F5O2/c12-10(13,11(14,15)16)7-18-6-9(17)8-4-2-1-3-5-8/h8H,1-7H2.
What are the key properties of 1-cyclohexyl-2-(2,2,3,3,3-pentafluoropropoxy)ethanone?
1-cyclohexyl-2-(2,2,3,3,3-pentafluoropropoxy)ethanone has a molecular weight of 274.23 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(2,2,3,3,3-pentafluoropropoxy)ethanone is sourced from PubChem (CID 104752153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).