5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,3-dimethylbicyclo[2.2.1]heptane;5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane

C25H34F12O — CID 91198024

IUPAC5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,3-dimethylbicyclo[2.2.1]heptane;5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane
SMILESCC1C2CC(C(C)(C(F)(F)F)C(F)(F)F)C(O2)C1C.CC1C2CC(C1C)C(C(C)(C(F)(F)F)C(F)(F)F)C2
InChIInChI=1S/C13H18F6.C12H16F6O/c1-6-7(2)9-4-8(6)5-10(9)11(3,12(14,15)16)13(17,18)19;1-5-6(2)9-7(4-8(5)19-9)10(3,11(13,14)15)12(16,17)18/h6-10H,4-5H2,1-3H3;5-9H,4H2,1-3H3
InChIKeyNSAODNBZDFYQGY-UHFFFAOYSA-N
MW578.52 g/mol
LogP9.22
Rot. Bonds2

About 5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,3-dimethylbicyclo[2.2.1]heptane;5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane

5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,3-dimethylbicyclo[2.2.1]heptane;5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane (PubChem CID 91198024) has the molecular formula C25H34F12O and a molecular weight of 578.52 g/mol. Its IUPAC name is 5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,3-dimethylbicyclo[2.2.1]heptane;5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,3-dimethylbicyclo[2.2.1]heptane;5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane
PubChem CID91198024
Molecular FormulaC25H34F12O
Molecular Weight578.52 g/mol
Exact Mass578.24
IUPAC Name5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,3-dimethylbicyclo[2.2.1]heptane;5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane
SMILESCC1C2CC(C(C)(C(F)(F)F)C(F)(F)F)C(O2)C1C.CC1C2CC(C1C)C(C(C)(C(F)(F)F)C(F)(F)F)C2
InChIInChI=1S/C13H18F6.C12H16F6O/c1-6-7(2)9-4-8(6)5-10(9)11(3,12(14,15)16)13(17,18)19;1-5-6(2)9-7(4-8(5)19-9)10(3,11(13,14)15)12(16,17)18/h6-10H,4-5H2,1-3H3;5-9H,4H2,1-3H3
InChIKeyNSAODNBZDFYQGY-UHFFFAOYSA-N
XLogP9.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.52
LogP ≤ 59.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,3-dimethylbicyclo[2.2.1]heptane;5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane with MolForge

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Related Compounds

2,2-difluoro-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-5,6-dimethylbicyclo[2.2.1]heptane;5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,3-dimethylbicyclo[2.2.1]heptane
CID 91017996
2,3-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-7-oxabicyclo[2.2.1]heptane
CID 20770047
CID 159805052
CID 159805052
2,2-difluoro-5,6-dimethyl-3-(3,3,3-trifluoro-2,2-dimethylpropyl)-7-oxabicyclo[2.2.1]heptane;2,3-dimethyl-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane
CID 90788583
3-[1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-hydroxyethyl]oxolan-2-one
CID 20608170
3-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol
CID 59030178
(5R)-2,3,5-trimethylbicyclo[2.2.1]heptane
CID 59217509
2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-1,1,1,3,3,3-hexafluoropropan-2-ol;methane
CID 161281823
methyl 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-hydroxybutanoate
CID 20771597
[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyphosphane
CID 22887496
tert-butyl 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-hydroxybutanoate
CID 20587127
2,3-dimethyl-5-(3,3,3-trifluoro-2-methyl-2-propan-2-yloxypropyl)bicyclo[2.2.1]heptane
CID 58205815

Frequently Asked Questions

What is the IUPAC name of 5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,3-dimethylbicyclo[2.2.1]heptane;5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane?
The IUPAC name of 5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,3-dimethylbicyclo[2.2.1]heptane;5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane (CID 91198024) is 5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,3-dimethylbicyclo[2.2.1]heptane;5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane.
What is the SMILES notation for 5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,3-dimethylbicyclo[2.2.1]heptane;5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane?
The canonical SMILES for 5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,3-dimethylbicyclo[2.2.1]heptane;5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane is CC1C2CC(C(C)(C(F)(F)F)C(F)(F)F)C(O2)C1C.CC1C2CC(C1C)C(C(C)(C(F)(F)F)C(F)(F)F)C2.
What is the InChIKey of 5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,3-dimethylbicyclo[2.2.1]heptane;5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane?
The InChIKey is NSAODNBZDFYQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F6.C12H16F6O/c1-6-7(2)9-4-8(6)5-10(9)11(3,12(14,15)16)13(17,18)19;1-5-6(2)9-7(4-8(5)19-9)10(3,11(13,14)15)12(16,17)18/h6-10H,4-5H2,1-3H3;5-9H,4H2,1-3H3.
What are the key properties of 5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,3-dimethylbicyclo[2.2.1]heptane;5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane?
5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,3-dimethylbicyclo[2.2.1]heptane;5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane has a molecular weight of 578.52 g/mol, XLogP of 9.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,3-dimethylbicyclo[2.2.1]heptane;5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane is sourced from PubChem (CID 91198024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).