2-[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane

C18H26F6O2 — CID 20771641

IUPAC2-[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane
SMILESCC1C2CC(CC(OC3CCCCO3)(C(F)(F)F)C(F)(F)F)C(C2)C1C
InChIInChI=1S/C18H26F6O2/c1-10-11(2)14-8-12(10)7-13(14)9-16(17(19,20)21,18(22,23)24)26-15-5-3-4-6-25-15/h10-15H,3-9H2,1-2H3
InChIKeyMFTRFIDRNSIPLA-UHFFFAOYSA-N
MW388.39 g/mol
LogP5.71
Rot. Bonds4

About 2-[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane

2-[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane (PubChem CID 20771641) has the molecular formula C18H26F6O2 and a molecular weight of 388.39 g/mol. Its IUPAC name is 2-[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane.

Molecular Properties

Compound Name2-[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane
PubChem CID20771641
Molecular FormulaC18H26F6O2
Molecular Weight388.39 g/mol
Exact Mass388.18
IUPAC Name2-[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane
SMILESCC1C2CC(CC(OC3CCCCO3)(C(F)(F)F)C(F)(F)F)C(C2)C1C
InChIInChI=1S/C18H26F6O2/c1-10-11(2)14-8-12(10)7-13(14)9-16(17(19,20)21,18(22,23)24)26-15-5-3-4-6-25-15/h10-15H,3-9H2,1-2H3
InChIKeyMFTRFIDRNSIPLA-UHFFFAOYSA-N
XLogP5.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.39
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane?
The IUPAC name of 2-[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane (CID 20771641) is 2-[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane.
What is the SMILES notation for 2-[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane?
The canonical SMILES for 2-[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane is CC1C2CC(CC(OC3CCCCO3)(C(F)(F)F)C(F)(F)F)C(C2)C1C.
What is the InChIKey of 2-[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane?
The InChIKey is MFTRFIDRNSIPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F6O2/c1-10-11(2)14-8-12(10)7-13(14)9-16(17(19,20)21,18(22,23)24)26-15-5-3-4-6-25-15/h10-15H,3-9H2,1-2H3.
What are the key properties of 2-[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane?
2-[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane has a molecular weight of 388.39 g/mol, XLogP of 5.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane is sourced from PubChem (CID 20771641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).