2-[2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane

C16H22F6O2 — CID 22976667

IUPAC2-[2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane
SMILESFC(F)(F)C(CC1CC2CCC1C2)(OC1CCCCO1)C(F)(F)F
InChIInChI=1S/C16H22F6O2/c17-15(18,19)14(16(20,21)22,24-13-3-1-2-6-23-13)9-12-8-10-4-5-11(12)7-10/h10-13H,1-9H2
InChIKeyIDWMZLDTBZAZRX-UHFFFAOYSA-N
MW360.34 g/mol
LogP5.22
Rot. Bonds4

About 2-[2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane

2-[2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane (PubChem CID 22976667) has the molecular formula C16H22F6O2 and a molecular weight of 360.34 g/mol. Its IUPAC name is 2-[2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane.

Molecular Properties

Compound Name2-[2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane
PubChem CID22976667
Molecular FormulaC16H22F6O2
Molecular Weight360.34 g/mol
Exact Mass360.15
IUPAC Name2-[2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane
SMILESFC(F)(F)C(CC1CC2CCC1C2)(OC1CCCCO1)C(F)(F)F
InChIInChI=1S/C16H22F6O2/c17-15(18,19)14(16(20,21)22,24-13-3-1-2-6-23-13)9-12-8-10-4-5-11(12)7-10/h10-13H,1-9H2
InChIKeyIDWMZLDTBZAZRX-UHFFFAOYSA-N
XLogP5.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.34
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane?
The IUPAC name of 2-[2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane (CID 22976667) is 2-[2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane.
What is the SMILES notation for 2-[2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane?
The canonical SMILES for 2-[2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane is FC(F)(F)C(CC1CC2CCC1C2)(OC1CCCCO1)C(F)(F)F.
What is the InChIKey of 2-[2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane?
The InChIKey is IDWMZLDTBZAZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F6O2/c17-15(18,19)14(16(20,21)22,24-13-3-1-2-6-23-13)9-12-8-10-4-5-11(12)7-10/h10-13H,1-9H2.
What are the key properties of 2-[2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane?
2-[2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane has a molecular weight of 360.34 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane is sourced from PubChem (CID 22976667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).