2-(1,1-difluoroethyl)-2,5,5-trifluorooxolane

C6H7F5O — CID 20802246

IUPAC2-(1,1-difluoroethyl)-2,5,5-trifluorooxolane
SMILESCC(F)(F)C1(F)CCC(F)(F)O1
InChIInChI=1S/C6H7F5O/c1-4(7,8)5(9)2-3-6(10,11)12-5/h2-3H2,1H3
InChIKeyAZMAPXYPEJASTO-UHFFFAOYSA-N
MW190.11 g/mol
LogP2.71
Rot. Bonds1

About 2-(1,1-difluoroethyl)-2,5,5-trifluorooxolane

2-(1,1-difluoroethyl)-2,5,5-trifluorooxolane (PubChem CID 20802246) has the molecular formula C6H7F5O and a molecular weight of 190.11 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-2,5,5-trifluorooxolane.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-2,5,5-trifluorooxolane
PubChem CID20802246
Molecular FormulaC6H7F5O
Molecular Weight190.11 g/mol
Exact Mass190.04
IUPAC Name2-(1,1-difluoroethyl)-2,5,5-trifluorooxolane
SMILESCC(F)(F)C1(F)CCC(F)(F)O1
InChIInChI=1S/C6H7F5O/c1-4(7,8)5(9)2-3-6(10,11)12-5/h2-3H2,1H3
InChIKeyAZMAPXYPEJASTO-UHFFFAOYSA-N
XLogP2.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.11
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-2,5,5-trifluorooxolane?
The IUPAC name of 2-(1,1-difluoroethyl)-2,5,5-trifluorooxolane (CID 20802246) is 2-(1,1-difluoroethyl)-2,5,5-trifluorooxolane.
What is the SMILES notation for 2-(1,1-difluoroethyl)-2,5,5-trifluorooxolane?
The canonical SMILES for 2-(1,1-difluoroethyl)-2,5,5-trifluorooxolane is CC(F)(F)C1(F)CCC(F)(F)O1.
What is the InChIKey of 2-(1,1-difluoroethyl)-2,5,5-trifluorooxolane?
The InChIKey is AZMAPXYPEJASTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F5O/c1-4(7,8)5(9)2-3-6(10,11)12-5/h2-3H2,1H3.
What are the key properties of 2-(1,1-difluoroethyl)-2,5,5-trifluorooxolane?
2-(1,1-difluoroethyl)-2,5,5-trifluorooxolane has a molecular weight of 190.11 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-2,5,5-trifluorooxolane is sourced from PubChem (CID 20802246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).