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

C12H22F2O2 — CID 70794081

IUPAC1-(4,4-difluorohexoxy)-2-ethoxycyclobutane
SMILESCCOC1CCC1OCCCC(F)(F)CC
InChIInChI=1S/C12H22F2O2/c1-3-12(13,14)8-5-9-16-11-7-6-10(11)15-4-2/h10-11H,3-9H2,1-2H3
InChIKeyOHLAYORLNYRAID-UHFFFAOYSA-N
MW236.30 g/mol
LogP3.40
Rot. Bonds8

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

1-(4,4-difluorohexoxy)-2-ethoxycyclobutane (PubChem CID 70794081) has the molecular formula C12H22F2O2 and a molecular weight of 236.30 g/mol. Its IUPAC name is 1-(4,4-difluorohexoxy)-2-ethoxycyclobutane.

Molecular Properties

Compound Name1-(4,4-difluorohexoxy)-2-ethoxycyclobutane
PubChem CID70794081
Molecular FormulaC12H22F2O2
Molecular Weight236.30 g/mol
Exact Mass236.16
IUPAC Name1-(4,4-difluorohexoxy)-2-ethoxycyclobutane
SMILESCCOC1CCC1OCCCC(F)(F)CC
InChIInChI=1S/C12H22F2O2/c1-3-12(13,14)8-5-9-16-11-7-6-10(11)15-4-2/h10-11H,3-9H2,1-2H3
InChIKeyOHLAYORLNYRAID-UHFFFAOYSA-N
XLogP3.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4,4-difluorohexoxy)-2-ethoxycyclobutane 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-(4,4-difluorohexoxy)-2-ethoxycyclobutane?
The IUPAC name of 1-(4,4-difluorohexoxy)-2-ethoxycyclobutane (CID 70794081) is 1-(4,4-difluorohexoxy)-2-ethoxycyclobutane.
What is the SMILES notation for 1-(4,4-difluorohexoxy)-2-ethoxycyclobutane?
The canonical SMILES for 1-(4,4-difluorohexoxy)-2-ethoxycyclobutane is CCOC1CCC1OCCCC(F)(F)CC.
What is the InChIKey of 1-(4,4-difluorohexoxy)-2-ethoxycyclobutane?
The InChIKey is OHLAYORLNYRAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2O2/c1-3-12(13,14)8-5-9-16-11-7-6-10(11)15-4-2/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-(4,4-difluorohexoxy)-2-ethoxycyclobutane?
1-(4,4-difluorohexoxy)-2-ethoxycyclobutane has a molecular weight of 236.30 g/mol, XLogP of 3.40, 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-ethoxycyclobutane is sourced from PubChem (CID 70794081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).