2,2-difluoro-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane

C11H12F8 — CID 20770025

IUPAC2,2-difluoro-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane
SMILESCC(C1C2CCC(C2)C1(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H12F8/c1-8(10(14,15)16,11(17,18)19)7-5-2-3-6(4-5)9(7,12)13/h5-7H,2-4H2,1H3
InChIKeyYJNFSYIATCIULB-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.80
Rot. Bonds1

About 2,2-difluoro-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane

2,2-difluoro-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane (PubChem CID 20770025) has the molecular formula C11H12F8 and a molecular weight of 296.20 g/mol. Its IUPAC name is 2,2-difluoro-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2,2-difluoro-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane
PubChem CID20770025
Molecular FormulaC11H12F8
Molecular Weight296.20 g/mol
Exact Mass296.08
IUPAC Name2,2-difluoro-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane
SMILESCC(C1C2CCC(C2)C1(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H12F8/c1-8(10(14,15)16,11(17,18)19)7-5-2-3-6(4-5)9(7,12)13/h5-7H,2-4H2,1H3
InChIKeyYJNFSYIATCIULB-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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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)bicyclo[2.2.1]heptane?
The IUPAC name of 2,2-difluoro-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane (CID 20770025) is 2,2-difluoro-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[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)bicyclo[2.2.1]heptane?
The canonical SMILES for 2,2-difluoro-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane is CC(C1C2CCC(C2)C1(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,2-difluoro-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane?
The InChIKey is YJNFSYIATCIULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F8/c1-8(10(14,15)16,11(17,18)19)7-5-2-3-6(4-5)9(7,12)13/h5-7H,2-4H2,1H3.
What are the key properties of 2,2-difluoro-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane?
2,2-difluoro-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane has a molecular weight of 296.20 g/mol, XLogP of 4.80, 1 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)bicyclo[2.2.1]heptane is sourced from PubChem (CID 20770025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).