1,1-difluoroethoxymethylcyclobutane

C7H12F2O — CID 90392455

IUPAC1,1-difluoroethoxymethylcyclobutane
SMILESCC(F)(F)OCC1CCC1
InChIInChI=1S/C7H12F2O/c1-7(8,9)10-5-6-3-2-4-6/h6H,2-5H2,1H3
InChIKeyZXWSBSXWWNNEJP-UHFFFAOYSA-N
MW150.17 g/mol
LogP2.42
Rot. Bonds3

About 1,1-difluoroethoxymethylcyclobutane

1,1-difluoroethoxymethylcyclobutane (PubChem CID 90392455) has the molecular formula C7H12F2O and a molecular weight of 150.17 g/mol. Its IUPAC name is 1,1-difluoroethoxymethylcyclobutane.

Molecular Properties

Compound Name1,1-difluoroethoxymethylcyclobutane
PubChem CID90392455
Molecular FormulaC7H12F2O
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Name1,1-difluoroethoxymethylcyclobutane
SMILESCC(F)(F)OCC1CCC1
InChIInChI=1S/C7H12F2O/c1-7(8,9)10-5-6-3-2-4-6/h6H,2-5H2,1H3
InChIKeyZXWSBSXWWNNEJP-UHFFFAOYSA-N
XLogP2.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoroethoxymethylcyclobutane?
The IUPAC name of 1,1-difluoroethoxymethylcyclobutane (CID 90392455) is 1,1-difluoroethoxymethylcyclobutane.
What is the SMILES notation for 1,1-difluoroethoxymethylcyclobutane?
The canonical SMILES for 1,1-difluoroethoxymethylcyclobutane is CC(F)(F)OCC1CCC1.
What is the InChIKey of 1,1-difluoroethoxymethylcyclobutane?
The InChIKey is ZXWSBSXWWNNEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O/c1-7(8,9)10-5-6-3-2-4-6/h6H,2-5H2,1H3.
What are the key properties of 1,1-difluoroethoxymethylcyclobutane?
1,1-difluoroethoxymethylcyclobutane has a molecular weight of 150.17 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoroethoxymethylcyclobutane is sourced from PubChem (CID 90392455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).