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

C15H24F2O2 — CID 71263559

IUPAC2-[[5-(2,2-difluoropropyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane
SMILESCC(F)(F)CC1CC2CC1CC2OC1CCCCO1
InChIInChI=1S/C15H24F2O2/c1-15(16,17)9-12-7-11-6-10(12)8-13(11)19-14-4-2-3-5-18-14/h10-14H,2-9H2,1H3
InChIKeyUBPCFEZHCGAUIC-UHFFFAOYSA-N
MW274.35 g/mol
LogP3.99
Rot. Bonds4

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

2-[[5-(2,2-difluoropropyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane (PubChem CID 71263559) has the molecular formula C15H24F2O2 and a molecular weight of 274.35 g/mol. Its IUPAC name is 2-[[5-(2,2-difluoropropyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane.

Molecular Properties

Compound Name2-[[5-(2,2-difluoropropyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane
PubChem CID71263559
Molecular FormulaC15H24F2O2
Molecular Weight274.35 g/mol
Exact Mass274.17
IUPAC Name2-[[5-(2,2-difluoropropyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane
SMILESCC(F)(F)CC1CC2CC1CC2OC1CCCCO1
InChIInChI=1S/C15H24F2O2/c1-15(16,17)9-12-7-11-6-10(12)8-13(11)19-14-4-2-3-5-18-14/h10-14H,2-9H2,1H3
InChIKeyUBPCFEZHCGAUIC-UHFFFAOYSA-N
XLogP3.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 53.99
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-difluoropropyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane?
The IUPAC name of 2-[[5-(2,2-difluoropropyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane (CID 71263559) is 2-[[5-(2,2-difluoropropyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane.
What is the SMILES notation for 2-[[5-(2,2-difluoropropyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane?
The canonical SMILES for 2-[[5-(2,2-difluoropropyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane is CC(F)(F)CC1CC2CC1CC2OC1CCCCO1.
What is the InChIKey of 2-[[5-(2,2-difluoropropyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane?
The InChIKey is UBPCFEZHCGAUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2O2/c1-15(16,17)9-12-7-11-6-10(12)8-13(11)19-14-4-2-3-5-18-14/h10-14H,2-9H2,1H3.
What are the key properties of 2-[[5-(2,2-difluoropropyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane?
2-[[5-(2,2-difluoropropyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane has a molecular weight of 274.35 g/mol, XLogP of 3.99, 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-difluoropropyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane is sourced from PubChem (CID 71263559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).