1-[(E)-3,3-difluoro-4-methylpent-1-enyl]-1-(propan-2-yloxymethyl)cyclobutane

C14H24F2O — CID 58275590

IUPAC1-[(E)-3,3-difluoro-4-methylpent-1-enyl]-1-(propan-2-yloxymethyl)cyclobutane
SMILESCC(C)OCC1(/C=C/C(F)(F)C(C)C)CCC1
InChIInChI=1S/C14H24F2O/c1-11(2)14(15,16)9-8-13(6-5-7-13)10-17-12(3)4/h8-9,11-12H,5-7,10H2,1-4H3/b9-8+
InChIKeyWCSZQXASPKAGFA-CMDGGOBGSA-N
MW246.34 g/mol
LogP4.43
Rot. Bonds6

About 1-[(E)-3,3-difluoro-4-methylpent-1-enyl]-1-(propan-2-yloxymethyl)cyclobutane

1-[(E)-3,3-difluoro-4-methylpent-1-enyl]-1-(propan-2-yloxymethyl)cyclobutane (PubChem CID 58275590) has the molecular formula C14H24F2O and a molecular weight of 246.34 g/mol. Its IUPAC name is 1-[(E)-3,3-difluoro-4-methylpent-1-enyl]-1-(propan-2-yloxymethyl)cyclobutane.

Molecular Properties

Compound Name1-[(E)-3,3-difluoro-4-methylpent-1-enyl]-1-(propan-2-yloxymethyl)cyclobutane
PubChem CID58275590
Molecular FormulaC14H24F2O
Molecular Weight246.34 g/mol
Exact Mass246.18
IUPAC Name1-[(E)-3,3-difluoro-4-methylpent-1-enyl]-1-(propan-2-yloxymethyl)cyclobutane
SMILESCC(C)OCC1(/C=C/C(F)(F)C(C)C)CCC1
InChIInChI=1S/C14H24F2O/c1-11(2)14(15,16)9-8-13(6-5-7-13)10-17-12(3)4/h8-9,11-12H,5-7,10H2,1-4H3/b9-8+
InChIKeyWCSZQXASPKAGFA-CMDGGOBGSA-N
XLogP4.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(E)-3,3-difluoro-4-methylpent-1-enyl]-1-(propan-2-yloxymethyl)cyclobutane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3,3-difluoro-4-methylpent-1-enyl]-1-(propan-2-yloxymethyl)cyclobutane?
The IUPAC name of 1-[(E)-3,3-difluoro-4-methylpent-1-enyl]-1-(propan-2-yloxymethyl)cyclobutane (CID 58275590) is 1-[(E)-3,3-difluoro-4-methylpent-1-enyl]-1-(propan-2-yloxymethyl)cyclobutane.
What is the SMILES notation for 1-[(E)-3,3-difluoro-4-methylpent-1-enyl]-1-(propan-2-yloxymethyl)cyclobutane?
The canonical SMILES for 1-[(E)-3,3-difluoro-4-methylpent-1-enyl]-1-(propan-2-yloxymethyl)cyclobutane is CC(C)OCC1(/C=C/C(F)(F)C(C)C)CCC1.
What is the InChIKey of 1-[(E)-3,3-difluoro-4-methylpent-1-enyl]-1-(propan-2-yloxymethyl)cyclobutane?
The InChIKey is WCSZQXASPKAGFA-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H24F2O/c1-11(2)14(15,16)9-8-13(6-5-7-13)10-17-12(3)4/h8-9,11-12H,5-7,10H2,1-4H3/b9-8+.
What are the key properties of 1-[(E)-3,3-difluoro-4-methylpent-1-enyl]-1-(propan-2-yloxymethyl)cyclobutane?
1-[(E)-3,3-difluoro-4-methylpent-1-enyl]-1-(propan-2-yloxymethyl)cyclobutane has a molecular weight of 246.34 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3,3-difluoro-4-methylpent-1-enyl]-1-(propan-2-yloxymethyl)cyclobutane is sourced from PubChem (CID 58275590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).