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

C11H14F6 — CID 20760918

IUPAC2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane
SMILESCC(C1CC2CCC1C2)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H14F6/c1-9(10(12,13)14,11(15,16)17)8-5-6-2-3-7(8)4-6/h6-8H,2-5H2,1H3
InChIKeyBEPPZDZEJZYKSD-UHFFFAOYSA-N
MW260.22 g/mol
LogP4.55
Rot. Bonds1

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

2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane (PubChem CID 20760918) has the molecular formula C11H14F6 and a molecular weight of 260.22 g/mol. Its IUPAC name is 2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane
PubChem CID20760918
Molecular FormulaC11H14F6
Molecular Weight260.22 g/mol
Exact Mass260.10
IUPAC Name2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane
SMILESCC(C1CC2CCC1C2)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H14F6/c1-9(10(12,13)14,11(15,16)17)8-5-6-2-3-7(8)4-6/h6-8H,2-5H2,1H3
InChIKeyBEPPZDZEJZYKSD-UHFFFAOYSA-N
XLogP4.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane?
The IUPAC name of 2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane (CID 20760918) is 2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane?
The canonical SMILES for 2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane is CC(C1CC2CCC1C2)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane?
The InChIKey is BEPPZDZEJZYKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F6/c1-9(10(12,13)14,11(15,16)17)8-5-6-2-3-7(8)4-6/h6-8H,2-5H2,1H3.
What are the key properties of 2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane?
2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane has a molecular weight of 260.22 g/mol, XLogP of 4.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 20760918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).