2,2,3,3,4,4-hexafluoro-5-prop-2-enoxy-5-prop-2-enylcyclopentan-1-one

C11H10F6O2 — CID 102259080

IUPAC2,2,3,3,4,4-hexafluoro-5-prop-2-enoxy-5-prop-2-enylcyclopentan-1-one
SMILESC=CCOC1(CC=C)C(=O)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C11H10F6O2/c1-3-5-8(19-6-4-2)7(18)9(12,13)11(16,17)10(8,14)15/h3-4H,1-2,5-6H2
InChIKeyMVSQBLGRALHRFM-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.99
Rot. Bonds5

About 2,2,3,3,4,4-hexafluoro-5-prop-2-enoxy-5-prop-2-enylcyclopentan-1-one

2,2,3,3,4,4-hexafluoro-5-prop-2-enoxy-5-prop-2-enylcyclopentan-1-one (PubChem CID 102259080) has the molecular formula C11H10F6O2 and a molecular weight of 288.19 g/mol. Its IUPAC name is 2,2,3,3,4,4-hexafluoro-5-prop-2-enoxy-5-prop-2-enylcyclopentan-1-one.

Molecular Properties

Compound Name2,2,3,3,4,4-hexafluoro-5-prop-2-enoxy-5-prop-2-enylcyclopentan-1-one
PubChem CID102259080
Molecular FormulaC11H10F6O2
Molecular Weight288.19 g/mol
Exact Mass288.06
IUPAC Name2,2,3,3,4,4-hexafluoro-5-prop-2-enoxy-5-prop-2-enylcyclopentan-1-one
SMILESC=CCOC1(CC=C)C(=O)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C11H10F6O2/c1-3-5-8(19-6-4-2)7(18)9(12,13)11(16,17)10(8,14)15/h3-4H,1-2,5-6H2
InChIKeyMVSQBLGRALHRFM-UHFFFAOYSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2,2,3,3,4,4-hexafluoro-5-prop-2-enoxy-5-prop-2-enylcyclopentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-But-2-enyl-3,3,4,4,5,5-hexafluoro-2-prop-2-enoxycyclopentan-1-one
CID 140254564
(2R)-2-but-3-enoxy-2-ethenylcyclopentan-1-one
CID 102184295
(2R)-2-ethenyl-2-pent-4-enoxycyclopentan-1-one
CID 102184296
2-But-3-enoxy-2-ethenylcyclopentan-1-one
CID 102184310
2-Ethenyl-2-pent-4-enoxycyclopentan-1-one
CID 102184311

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4-hexafluoro-5-prop-2-enoxy-5-prop-2-enylcyclopentan-1-one?
The IUPAC name of 2,2,3,3,4,4-hexafluoro-5-prop-2-enoxy-5-prop-2-enylcyclopentan-1-one (CID 102259080) is 2,2,3,3,4,4-hexafluoro-5-prop-2-enoxy-5-prop-2-enylcyclopentan-1-one.
What is the SMILES notation for 2,2,3,3,4,4-hexafluoro-5-prop-2-enoxy-5-prop-2-enylcyclopentan-1-one?
The canonical SMILES for 2,2,3,3,4,4-hexafluoro-5-prop-2-enoxy-5-prop-2-enylcyclopentan-1-one is C=CCOC1(CC=C)C(=O)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3,4,4-hexafluoro-5-prop-2-enoxy-5-prop-2-enylcyclopentan-1-one?
The InChIKey is MVSQBLGRALHRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F6O2/c1-3-5-8(19-6-4-2)7(18)9(12,13)11(16,17)10(8,14)15/h3-4H,1-2,5-6H2.
What are the key properties of 2,2,3,3,4,4-hexafluoro-5-prop-2-enoxy-5-prop-2-enylcyclopentan-1-one?
2,2,3,3,4,4-hexafluoro-5-prop-2-enoxy-5-prop-2-enylcyclopentan-1-one has a molecular weight of 288.19 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4-hexafluoro-5-prop-2-enoxy-5-prop-2-enylcyclopentan-1-one is sourced from PubChem (CID 102259080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).