2-[[5-(2,2-difluoroethyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane

C14H22F2O2 — CID 58436076

IUPAC2-[[5-(2,2-difluoroethyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane
SMILESFC(F)CC1CC2CC1CC2OC1CCCCO1
InChIInChI=1S/C14H22F2O2/c15-13(16)8-10-6-11-5-9(10)7-12(11)18-14-3-1-2-4-17-14/h9-14H,1-8H2
InChIKeyYLOCKAOKSCQKNE-UHFFFAOYSA-N
MW260.32 g/mol
LogP3.60
Rot. Bonds4

About 2-[[5-(2,2-difluoroethyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane

2-[[5-(2,2-difluoroethyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane (PubChem CID 58436076) has the molecular formula C14H22F2O2 and a molecular weight of 260.32 g/mol. Its IUPAC name is 2-[[5-(2,2-difluoroethyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane.

Molecular Properties

Compound Name2-[[5-(2,2-difluoroethyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane
PubChem CID58436076
Molecular FormulaC14H22F2O2
Molecular Weight260.32 g/mol
Exact Mass260.16
IUPAC Name2-[[5-(2,2-difluoroethyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane
SMILESFC(F)CC1CC2CC1CC2OC1CCCCO1
InChIInChI=1S/C14H22F2O2/c15-13(16)8-10-6-11-5-9(10)7-12(11)18-14-3-1-2-4-17-14/h9-14H,1-8H2
InChIKeyYLOCKAOKSCQKNE-UHFFFAOYSA-N
XLogP3.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2,2-difluoroethyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane?
The IUPAC name of 2-[[5-(2,2-difluoroethyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane (CID 58436076) is 2-[[5-(2,2-difluoroethyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane.
What is the SMILES notation for 2-[[5-(2,2-difluoroethyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane?
The canonical SMILES for 2-[[5-(2,2-difluoroethyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane is FC(F)CC1CC2CC1CC2OC1CCCCO1.
What is the InChIKey of 2-[[5-(2,2-difluoroethyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane?
The InChIKey is YLOCKAOKSCQKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2O2/c15-13(16)8-10-6-11-5-9(10)7-12(11)18-14-3-1-2-4-17-14/h9-14H,1-8H2.
What are the key properties of 2-[[5-(2,2-difluoroethyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane?
2-[[5-(2,2-difluoroethyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane has a molecular weight of 260.32 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2,2-difluoroethyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane is sourced from PubChem (CID 58436076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).