1,1-difluoroethoxymethylcyclopentane

C8H14F2O — CID 90392460

IUPAC1,1-difluoroethoxymethylcyclopentane
SMILESCC(F)(F)OCC1CCCC1
InChIInChI=1S/C8H14F2O/c1-8(9,10)11-6-7-4-2-3-5-7/h7H,2-6H2,1H3
InChIKeyVDFHCFXEBJBQAX-UHFFFAOYSA-N
MW164.19 g/mol
LogP2.81
Rot. Bonds3

About 1,1-difluoroethoxymethylcyclopentane

1,1-difluoroethoxymethylcyclopentane (PubChem CID 90392460) has the molecular formula C8H14F2O and a molecular weight of 164.19 g/mol. Its IUPAC name is 1,1-difluoroethoxymethylcyclopentane.

Molecular Properties

Compound Name1,1-difluoroethoxymethylcyclopentane
PubChem CID90392460
Molecular FormulaC8H14F2O
Molecular Weight164.19 g/mol
Exact Mass164.10
IUPAC Name1,1-difluoroethoxymethylcyclopentane
SMILESCC(F)(F)OCC1CCCC1
InChIInChI=1S/C8H14F2O/c1-8(9,10)11-6-7-4-2-3-5-7/h7H,2-6H2,1H3
InChIKeyVDFHCFXEBJBQAX-UHFFFAOYSA-N
XLogP2.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.19
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoroethoxymethylcyclopentane?
The IUPAC name of 1,1-difluoroethoxymethylcyclopentane (CID 90392460) is 1,1-difluoroethoxymethylcyclopentane.
What is the SMILES notation for 1,1-difluoroethoxymethylcyclopentane?
The canonical SMILES for 1,1-difluoroethoxymethylcyclopentane is CC(F)(F)OCC1CCCC1.
What is the InChIKey of 1,1-difluoroethoxymethylcyclopentane?
The InChIKey is VDFHCFXEBJBQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O/c1-8(9,10)11-6-7-4-2-3-5-7/h7H,2-6H2,1H3.
What are the key properties of 1,1-difluoroethoxymethylcyclopentane?
1,1-difluoroethoxymethylcyclopentane has a molecular weight of 164.19 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoroethoxymethylcyclopentane is sourced from PubChem (CID 90392460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).