1-[(E)-4,4-difluorohex-2-enoxy]-2-ethoxycyclopropane

C11H18F2O2 — CID 70794078

IUPAC1-[(E)-4,4-difluorohex-2-enoxy]-2-ethoxycyclopropane
SMILESCCOC1CC1OC/C=C/C(F)(F)CC
InChIInChI=1S/C11H18F2O2/c1-3-11(12,13)6-5-7-15-10-8-9(10)14-4-2/h5-6,9-10H,3-4,7-8H2,1-2H3/b6-5+
InChIKeyVCNNAKMTNCWTAK-AATRIKPKSA-N
MW220.26 g/mol
LogP2.78
Rot. Bonds7

About 1-[(E)-4,4-difluorohex-2-enoxy]-2-ethoxycyclopropane

1-[(E)-4,4-difluorohex-2-enoxy]-2-ethoxycyclopropane (PubChem CID 70794078) has the molecular formula C11H18F2O2 and a molecular weight of 220.26 g/mol. Its IUPAC name is 1-[(E)-4,4-difluorohex-2-enoxy]-2-ethoxycyclopropane.

Molecular Properties

Compound Name1-[(E)-4,4-difluorohex-2-enoxy]-2-ethoxycyclopropane
PubChem CID70794078
Molecular FormulaC11H18F2O2
Molecular Weight220.26 g/mol
Exact Mass220.13
IUPAC Name1-[(E)-4,4-difluorohex-2-enoxy]-2-ethoxycyclopropane
SMILESCCOC1CC1OC/C=C/C(F)(F)CC
InChIInChI=1S/C11H18F2O2/c1-3-11(12,13)6-5-7-15-10-8-9(10)14-4-2/h5-6,9-10H,3-4,7-8H2,1-2H3/b6-5+
InChIKeyVCNNAKMTNCWTAK-AATRIKPKSA-N
XLogP2.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 52.78
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-difluorohex-2-enoxy]-2-ethoxycyclopropane?
The IUPAC name of 1-[(E)-4,4-difluorohex-2-enoxy]-2-ethoxycyclopropane (CID 70794078) is 1-[(E)-4,4-difluorohex-2-enoxy]-2-ethoxycyclopropane.
What is the SMILES notation for 1-[(E)-4,4-difluorohex-2-enoxy]-2-ethoxycyclopropane?
The canonical SMILES for 1-[(E)-4,4-difluorohex-2-enoxy]-2-ethoxycyclopropane is CCOC1CC1OC/C=C/C(F)(F)CC.
What is the InChIKey of 1-[(E)-4,4-difluorohex-2-enoxy]-2-ethoxycyclopropane?
The InChIKey is VCNNAKMTNCWTAK-AATRIKPKSA-N. The full InChI is InChI=1S/C11H18F2O2/c1-3-11(12,13)6-5-7-15-10-8-9(10)14-4-2/h5-6,9-10H,3-4,7-8H2,1-2H3/b6-5+.
What are the key properties of 1-[(E)-4,4-difluorohex-2-enoxy]-2-ethoxycyclopropane?
1-[(E)-4,4-difluorohex-2-enoxy]-2-ethoxycyclopropane has a molecular weight of 220.26 g/mol, XLogP of 2.78, 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-difluorohex-2-enoxy]-2-ethoxycyclopropane is sourced from PubChem (CID 70794078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).