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

C26H34F14 — CID 91017996

IUPAC2,2-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
SMILESCC1C(C)C2CC1C(C(C)(C(F)(F)F)C(F)(F)F)C2(F)F.CC1C2CC(C1C)C(C(C)(C(F)(F)F)C(F)(F)F)C2
InChIInChI=1S/C13H16F8.C13H18F6/c1-5-6(2)8-4-7(5)9(11(8,14)15)10(3,12(16,17)18)13(19,20)21;1-6-7(2)9-4-8(6)5-10(9)11(3,12(14,15)16)13(17,18)19/h5-9H,4H2,1-3H3;6-10H,4-5H2,1-3H3
InChIKeyAGHLONGBQYCUPF-UHFFFAOYSA-N
MW612.53 g/mol
LogP10.34
Rot. Bonds2

About 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

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 (PubChem CID 91017996) has the molecular formula C26H34F14 and a molecular weight of 612.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,2-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
PubChem CID91017996
Molecular FormulaC26H34F14
Molecular Weight612.53 g/mol
Exact Mass612.24
IUPAC Name2,2-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
SMILESCC1C(C)C2CC1C(C(C)(C(F)(F)F)C(F)(F)F)C2(F)F.CC1C2CC(C1C)C(C(C)(C(F)(F)F)C(F)(F)F)C2
InChIInChI=1S/C13H16F8.C13H18F6/c1-5-6(2)8-4-7(5)9(11(8,14)15)10(3,12(16,17)18)13(19,20)21;1-6-7(2)9-4-8(6)5-10(9)11(3,12(14,15)16)13(17,18)19/h5-9H,4H2,1-3H3;6-10H,4-5H2,1-3H3
InChIKeyAGHLONGBQYCUPF-UHFFFAOYSA-N
XLogP10.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.53
LogP ≤ 510.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1C(C)C2CC1C(C(C)(C(F)(F)F)C(F)(F)F)C2(F)F.CC1C2CC(C1C)C(C(C)(C(F)(F)F)C(F)(F)F)C2.
What is the InChIKey of 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?
The InChIKey is AGHLONGBQYCUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F8.C13H18F6/c1-5-6(2)8-4-7(5)9(11(8,14)15)10(3,12(16,17)18)13(19,20)21;1-6-7(2)9-4-8(6)5-10(9)11(3,12(14,15)16)13(17,18)19/h5-9H,4H2,1-3H3;6-10H,4-5H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 612.53 g/mol, XLogP of 10.34, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 91017996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).