1-[(E)-4,4-difluoro-5-methylhex-2-enyl]-1-(propan-2-yloxymethyl)cyclopropane

C14H24F2O — CID 58275555

IUPAC1-[(E)-4,4-difluoro-5-methylhex-2-enyl]-1-(propan-2-yloxymethyl)cyclopropane
SMILESCC(C)OCC1(C/C=C/C(F)(F)C(C)C)CC1
InChIInChI=1S/C14H24F2O/c1-11(2)14(15,16)7-5-6-13(8-9-13)10-17-12(3)4/h5,7,11-12H,6,8-10H2,1-4H3/b7-5+
InChIKeyWCHBHVGDWYSZIM-FNORWQNLSA-N
MW246.34 g/mol
LogP4.43
Rot. Bonds7

About 1-[(E)-4,4-difluoro-5-methylhex-2-enyl]-1-(propan-2-yloxymethyl)cyclopropane

1-[(E)-4,4-difluoro-5-methylhex-2-enyl]-1-(propan-2-yloxymethyl)cyclopropane (PubChem CID 58275555) has the molecular formula C14H24F2O and a molecular weight of 246.34 g/mol. Its IUPAC name is 1-[(E)-4,4-difluoro-5-methylhex-2-enyl]-1-(propan-2-yloxymethyl)cyclopropane.

Molecular Properties

Compound Name1-[(E)-4,4-difluoro-5-methylhex-2-enyl]-1-(propan-2-yloxymethyl)cyclopropane
PubChem CID58275555
Molecular FormulaC14H24F2O
Molecular Weight246.34 g/mol
Exact Mass246.18
IUPAC Name1-[(E)-4,4-difluoro-5-methylhex-2-enyl]-1-(propan-2-yloxymethyl)cyclopropane
SMILESCC(C)OCC1(C/C=C/C(F)(F)C(C)C)CC1
InChIInChI=1S/C14H24F2O/c1-11(2)14(15,16)7-5-6-13(8-9-13)10-17-12(3)4/h5,7,11-12H,6,8-10H2,1-4H3/b7-5+
InChIKeyWCHBHVGDWYSZIM-FNORWQNLSA-N
XLogP4.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4,4-difluoro-5-methylhex-2-enyl]-1-(propan-2-yloxymethyl)cyclopropane?
The IUPAC name of 1-[(E)-4,4-difluoro-5-methylhex-2-enyl]-1-(propan-2-yloxymethyl)cyclopropane (CID 58275555) is 1-[(E)-4,4-difluoro-5-methylhex-2-enyl]-1-(propan-2-yloxymethyl)cyclopropane.
What is the SMILES notation for 1-[(E)-4,4-difluoro-5-methylhex-2-enyl]-1-(propan-2-yloxymethyl)cyclopropane?
The canonical SMILES for 1-[(E)-4,4-difluoro-5-methylhex-2-enyl]-1-(propan-2-yloxymethyl)cyclopropane is CC(C)OCC1(C/C=C/C(F)(F)C(C)C)CC1.
What is the InChIKey of 1-[(E)-4,4-difluoro-5-methylhex-2-enyl]-1-(propan-2-yloxymethyl)cyclopropane?
The InChIKey is WCHBHVGDWYSZIM-FNORWQNLSA-N. The full InChI is InChI=1S/C14H24F2O/c1-11(2)14(15,16)7-5-6-13(8-9-13)10-17-12(3)4/h5,7,11-12H,6,8-10H2,1-4H3/b7-5+.
What are the key properties of 1-[(E)-4,4-difluoro-5-methylhex-2-enyl]-1-(propan-2-yloxymethyl)cyclopropane?
1-[(E)-4,4-difluoro-5-methylhex-2-enyl]-1-(propan-2-yloxymethyl)cyclopropane has a molecular weight of 246.34 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4,4-difluoro-5-methylhex-2-enyl]-1-(propan-2-yloxymethyl)cyclopropane is sourced from PubChem (CID 58275555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).