1-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-propan-2-yloxycyclobutane

C14H24F2O2 — CID 70791119

IUPAC1-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-propan-2-yloxycyclobutane
SMILESCC(C)OC1CCC1OC/C=C/C(F)(F)C(C)C
InChIInChI=1S/C14H24F2O2/c1-10(2)14(15,16)8-5-9-17-12-6-7-13(12)18-11(3)4/h5,8,10-13H,6-7,9H2,1-4H3/b8-5+
InChIKeyIXWFBLWEQNYTID-VMPITWQZSA-N
MW262.34 g/mol
LogP3.81
Rot. Bonds7

About 1-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-propan-2-yloxycyclobutane

1-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-propan-2-yloxycyclobutane (PubChem CID 70791119) has the molecular formula C14H24F2O2 and a molecular weight of 262.34 g/mol. Its IUPAC name is 1-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-propan-2-yloxycyclobutane.

Molecular Properties

Compound Name1-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-propan-2-yloxycyclobutane
PubChem CID70791119
Molecular FormulaC14H24F2O2
Molecular Weight262.34 g/mol
Exact Mass262.17
IUPAC Name1-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-propan-2-yloxycyclobutane
SMILESCC(C)OC1CCC1OC/C=C/C(F)(F)C(C)C
InChIInChI=1S/C14H24F2O2/c1-10(2)14(15,16)8-5-9-17-12-6-7-13(12)18-11(3)4/h5,8,10-13H,6-7,9H2,1-4H3/b8-5+
InChIKeyIXWFBLWEQNYTID-VMPITWQZSA-N
XLogP3.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-enoxy]-2-propan-2-yloxycyclobutane?
The IUPAC name of 1-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-propan-2-yloxycyclobutane (CID 70791119) is 1-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-propan-2-yloxycyclobutane.
What is the SMILES notation for 1-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-propan-2-yloxycyclobutane?
The canonical SMILES for 1-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-propan-2-yloxycyclobutane is CC(C)OC1CCC1OC/C=C/C(F)(F)C(C)C.
What is the InChIKey of 1-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-propan-2-yloxycyclobutane?
The InChIKey is IXWFBLWEQNYTID-VMPITWQZSA-N. The full InChI is InChI=1S/C14H24F2O2/c1-10(2)14(15,16)8-5-9-17-12-6-7-13(12)18-11(3)4/h5,8,10-13H,6-7,9H2,1-4H3/b8-5+.
What are the key properties of 1-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-propan-2-yloxycyclobutane?
1-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-propan-2-yloxycyclobutane has a molecular weight of 262.34 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-propan-2-yloxycyclobutane is sourced from PubChem (CID 70791119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).