1-[2-(2-methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethoxy)cyclobutane

C12H17F5O2 — CID 151731223

IUPAC1-[2-(2-methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethoxy)cyclobutane
SMILESCC(C)=COCCC1CCC1OC(F)(F)C(F)(F)F
InChIInChI=1S/C12H17F5O2/c1-8(2)7-18-6-5-9-3-4-10(9)19-12(16,17)11(13,14)15/h7,9-10H,3-6H2,1-2H3
InChIKeyRKPGFRGQQBXOMP-UHFFFAOYSA-N
MW288.26 g/mol
LogP4.27
Rot. Bonds6

About 1-[2-(2-methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethoxy)cyclobutane

1-[2-(2-methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethoxy)cyclobutane (PubChem CID 151731223) has the molecular formula C12H17F5O2 and a molecular weight of 288.26 g/mol. Its IUPAC name is 1-[2-(2-methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethoxy)cyclobutane.

Molecular Properties

Compound Name1-[2-(2-methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethoxy)cyclobutane
PubChem CID151731223
Molecular FormulaC12H17F5O2
Molecular Weight288.26 g/mol
Exact Mass288.11
IUPAC Name1-[2-(2-methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethoxy)cyclobutane
SMILESCC(C)=COCCC1CCC1OC(F)(F)C(F)(F)F
InChIInChI=1S/C12H17F5O2/c1-8(2)7-18-6-5-9-3-4-10(9)19-12(16,17)11(13,14)15/h7,9-10H,3-6H2,1-2H3
InChIKeyRKPGFRGQQBXOMP-UHFFFAOYSA-N
XLogP4.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[2-(2-methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethoxy)cyclobutane 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

1-[2-(2-Methylprop-1-enoxy)ethyl]-2-(trifluoromethoxy)cyclobutane
CID 150668606
3-[2-(2-Methylprop-1-enoxy)ethyl]-2-(trifluoromethyl)oxetane
CID 151406869
1-(2-Prop-1-enoxyethyl)-2-(trifluoromethoxy)cyclobutane
CID 151522029
3-[2-(2-Methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethyl)oxetane
CID 151698693
2-(1,1,2,2,2-Pentafluoroethyl)-3-(2-prop-1-enoxyethyl)oxetane
CID 152039828
1-(1,1,2,2,2-Pentafluoroethoxy)-2-(2-prop-1-enoxyethyl)cyclobutane
CID 152459962

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethoxy)cyclobutane?
The IUPAC name of 1-[2-(2-methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethoxy)cyclobutane (CID 151731223) is 1-[2-(2-methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethoxy)cyclobutane.
What is the SMILES notation for 1-[2-(2-methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethoxy)cyclobutane?
The canonical SMILES for 1-[2-(2-methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethoxy)cyclobutane is CC(C)=COCCC1CCC1OC(F)(F)C(F)(F)F.
What is the InChIKey of 1-[2-(2-methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethoxy)cyclobutane?
The InChIKey is RKPGFRGQQBXOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F5O2/c1-8(2)7-18-6-5-9-3-4-10(9)19-12(16,17)11(13,14)15/h7,9-10H,3-6H2,1-2H3.
What are the key properties of 1-[2-(2-methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethoxy)cyclobutane?
1-[2-(2-methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethoxy)cyclobutane has a molecular weight of 288.26 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethoxy)cyclobutane is sourced from PubChem (CID 151731223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).