1-(2,2-difluoroethoxy)-3-ethylcyclopentane

C9H16F2O — CID 123719280

IUPAC1-(2,2-difluoroethoxy)-3-ethylcyclopentane
SMILESCCC1CCC(OCC(F)F)C1
InChIInChI=1S/C9H16F2O/c1-2-7-3-4-8(5-7)12-6-9(10)11/h7-9H,2-6H2,1H3
InChIKeyXOFJSQGKJNFCKB-UHFFFAOYSA-N
MW178.22 g/mol
LogP2.85
Rot. Bonds4

About 1-(2,2-difluoroethoxy)-3-ethylcyclopentane

1-(2,2-difluoroethoxy)-3-ethylcyclopentane (PubChem CID 123719280) has the molecular formula C9H16F2O and a molecular weight of 178.22 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)-3-ethylcyclopentane.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)-3-ethylcyclopentane
PubChem CID123719280
Molecular FormulaC9H16F2O
Molecular Weight178.22 g/mol
Exact Mass178.12
IUPAC Name1-(2,2-difluoroethoxy)-3-ethylcyclopentane
SMILESCCC1CCC(OCC(F)F)C1
InChIInChI=1S/C9H16F2O/c1-2-7-3-4-8(5-7)12-6-9(10)11/h7-9H,2-6H2,1H3
InChIKeyXOFJSQGKJNFCKB-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxy)-3-ethylcyclopentane?
The IUPAC name of 1-(2,2-difluoroethoxy)-3-ethylcyclopentane (CID 123719280) is 1-(2,2-difluoroethoxy)-3-ethylcyclopentane.
What is the SMILES notation for 1-(2,2-difluoroethoxy)-3-ethylcyclopentane?
The canonical SMILES for 1-(2,2-difluoroethoxy)-3-ethylcyclopentane is CCC1CCC(OCC(F)F)C1.
What is the InChIKey of 1-(2,2-difluoroethoxy)-3-ethylcyclopentane?
The InChIKey is XOFJSQGKJNFCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2O/c1-2-7-3-4-8(5-7)12-6-9(10)11/h7-9H,2-6H2,1H3.
What are the key properties of 1-(2,2-difluoroethoxy)-3-ethylcyclopentane?
1-(2,2-difluoroethoxy)-3-ethylcyclopentane has a molecular weight of 178.22 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)-3-ethylcyclopentane is sourced from PubChem (CID 123719280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).