2,3-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)bicyclo[2.2.1]heptane;2,3-dimethyl-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane

C28H43F9 — CID 90765588

IUPAC2,3-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)bicyclo[2.2.1]heptane;2,3-dimethyl-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane
SMILESCC1C2CC(CC(C)(C(F)(F)F)C(F)(F)F)C(C2)C1C.CC1C2CC(CC(C)(C)C(F)(F)F)C(C2)C1C
InChIInChI=1S/C14H20F6.C14H23F3/c1-7-8(2)11-5-9(7)4-10(11)6-12(3,13(15,16)17)14(18,19)20;1-8-9(2)12-6-10(8)5-11(12)7-13(3,4)14(15,16)17/h7-11H,4-6H2,1-3H3;8-12H,5-7H2,1-4H3
InChIKeyRSBCXSPBDVEROU-UHFFFAOYSA-N
MW550.63 g/mol
LogP10.33
Rot. Bonds4

About 2,3-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)bicyclo[2.2.1]heptane;2,3-dimethyl-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane

2,3-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)bicyclo[2.2.1]heptane;2,3-dimethyl-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane (PubChem CID 90765588) has the molecular formula C28H43F9 and a molecular weight of 550.63 g/mol. Its IUPAC name is 2,3-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)bicyclo[2.2.1]heptane;2,3-dimethyl-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2,3-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)bicyclo[2.2.1]heptane;2,3-dimethyl-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane
PubChem CID90765588
Molecular FormulaC28H43F9
Molecular Weight550.63 g/mol
Exact Mass550.32
IUPAC Name2,3-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)bicyclo[2.2.1]heptane;2,3-dimethyl-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane
SMILESCC1C2CC(CC(C)(C(F)(F)F)C(F)(F)F)C(C2)C1C.CC1C2CC(CC(C)(C)C(F)(F)F)C(C2)C1C
InChIInChI=1S/C14H20F6.C14H23F3/c1-7-8(2)11-5-9(7)4-10(11)6-12(3,13(15,16)17)14(18,19)20;1-8-9(2)12-6-10(8)5-11(12)7-13(3,4)14(15,16)17/h7-11H,4-6H2,1-3H3;8-12H,5-7H2,1-4H3
InChIKeyRSBCXSPBDVEROU-UHFFFAOYSA-N
XLogP10.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.63
LogP ≤ 510.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,3-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)bicyclo[2.2.1]heptane;2,3-dimethyl-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)bicyclo[2.2.1]heptane;2,3-dimethyl-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane?
The IUPAC name of 2,3-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)bicyclo[2.2.1]heptane;2,3-dimethyl-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane (CID 90765588) is 2,3-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)bicyclo[2.2.1]heptane;2,3-dimethyl-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane.
What is the SMILES notation for 2,3-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)bicyclo[2.2.1]heptane;2,3-dimethyl-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane?
The canonical SMILES for 2,3-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)bicyclo[2.2.1]heptane;2,3-dimethyl-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane is CC1C2CC(CC(C)(C(F)(F)F)C(F)(F)F)C(C2)C1C.CC1C2CC(CC(C)(C)C(F)(F)F)C(C2)C1C.
What is the InChIKey of 2,3-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)bicyclo[2.2.1]heptane;2,3-dimethyl-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane?
The InChIKey is RSBCXSPBDVEROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F6.C14H23F3/c1-7-8(2)11-5-9(7)4-10(11)6-12(3,13(15,16)17)14(18,19)20;1-8-9(2)12-6-10(8)5-11(12)7-13(3,4)14(15,16)17/h7-11H,4-6H2,1-3H3;8-12H,5-7H2,1-4H3.
What are the key properties of 2,3-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)bicyclo[2.2.1]heptane;2,3-dimethyl-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane?
2,3-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)bicyclo[2.2.1]heptane;2,3-dimethyl-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane has a molecular weight of 550.63 g/mol, XLogP of 10.33, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)bicyclo[2.2.1]heptane;2,3-dimethyl-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane is sourced from PubChem (CID 90765588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).