2-[3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-yl]oxyoxane

C15H23F3O2 — CID 22976668

IUPAC2-[3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-yl]oxyoxane
SMILESFC(F)(F)C(CC1CC2CCC1C2)OC1CCCCO1
InChIInChI=1S/C15H23F3O2/c16-15(17,18)13(20-14-3-1-2-6-19-14)9-12-8-10-4-5-11(12)7-10/h10-14H,1-9H2
InChIKeyGCZTWVVDLKRMRJ-UHFFFAOYSA-N
MW292.34 g/mol
LogP4.29
Rot. Bonds4

About 2-[3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-yl]oxyoxane

2-[3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-yl]oxyoxane (PubChem CID 22976668) has the molecular formula C15H23F3O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-yl]oxyoxane.

Molecular Properties

Compound Name2-[3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-yl]oxyoxane
PubChem CID22976668
Molecular FormulaC15H23F3O2
Molecular Weight292.34 g/mol
Exact Mass292.17
IUPAC Name2-[3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-yl]oxyoxane
SMILESFC(F)(F)C(CC1CC2CCC1C2)OC1CCCCO1
InChIInChI=1S/C15H23F3O2/c16-15(17,18)13(20-14-3-1-2-6-19-14)9-12-8-10-4-5-11(12)7-10/h10-14H,1-9H2
InChIKeyGCZTWVVDLKRMRJ-UHFFFAOYSA-N
XLogP4.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-yl]oxyoxane?
The IUPAC name of 2-[3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-yl]oxyoxane (CID 22976668) is 2-[3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-yl]oxyoxane.
What is the SMILES notation for 2-[3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-yl]oxyoxane?
The canonical SMILES for 2-[3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-yl]oxyoxane is FC(F)(F)C(CC1CC2CCC1C2)OC1CCCCO1.
What is the InChIKey of 2-[3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-yl]oxyoxane?
The InChIKey is GCZTWVVDLKRMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3O2/c16-15(17,18)13(20-14-3-1-2-6-19-14)9-12-8-10-4-5-11(12)7-10/h10-14H,1-9H2.
What are the key properties of 2-[3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-yl]oxyoxane?
2-[3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-yl]oxyoxane has a molecular weight of 292.34 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-yl]oxyoxane is sourced from PubChem (CID 22976668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).