1-(4,4-difluorohexoxy)-2-ethoxycyclopropane

C11H20F2O2 — CID 70794098

IUPAC1-(4,4-difluorohexoxy)-2-ethoxycyclopropane
SMILESCCOC1CC1OCCCC(F)(F)CC
InChIInChI=1S/C11H20F2O2/c1-3-11(12,13)6-5-7-15-10-8-9(10)14-4-2/h9-10H,3-8H2,1-2H3
InChIKeyQZECAARHNPRDHZ-UHFFFAOYSA-N
MW222.27 g/mol
LogP3.01
Rot. Bonds8

About 1-(4,4-difluorohexoxy)-2-ethoxycyclopropane

1-(4,4-difluorohexoxy)-2-ethoxycyclopropane (PubChem CID 70794098) has the molecular formula C11H20F2O2 and a molecular weight of 222.27 g/mol. Its IUPAC name is 1-(4,4-difluorohexoxy)-2-ethoxycyclopropane.

Molecular Properties

Compound Name1-(4,4-difluorohexoxy)-2-ethoxycyclopropane
PubChem CID70794098
Molecular FormulaC11H20F2O2
Molecular Weight222.27 g/mol
Exact Mass222.14
IUPAC Name1-(4,4-difluorohexoxy)-2-ethoxycyclopropane
SMILESCCOC1CC1OCCCC(F)(F)CC
InChIInChI=1S/C11H20F2O2/c1-3-11(12,13)6-5-7-15-10-8-9(10)14-4-2/h9-10H,3-8H2,1-2H3
InChIKeyQZECAARHNPRDHZ-UHFFFAOYSA-N
XLogP3.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorohexoxy)-2-ethoxycyclopropane?
The IUPAC name of 1-(4,4-difluorohexoxy)-2-ethoxycyclopropane (CID 70794098) is 1-(4,4-difluorohexoxy)-2-ethoxycyclopropane.
What is the SMILES notation for 1-(4,4-difluorohexoxy)-2-ethoxycyclopropane?
The canonical SMILES for 1-(4,4-difluorohexoxy)-2-ethoxycyclopropane is CCOC1CC1OCCCC(F)(F)CC.
What is the InChIKey of 1-(4,4-difluorohexoxy)-2-ethoxycyclopropane?
The InChIKey is QZECAARHNPRDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2O2/c1-3-11(12,13)6-5-7-15-10-8-9(10)14-4-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-(4,4-difluorohexoxy)-2-ethoxycyclopropane?
1-(4,4-difluorohexoxy)-2-ethoxycyclopropane has a molecular weight of 222.27 g/mol, XLogP of 3.01, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorohexoxy)-2-ethoxycyclopropane is sourced from PubChem (CID 70794098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).