2,2-difluoro-3-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane

C12H14F8 — CID 20770026

IUPAC2,2-difluoro-3-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane
SMILESCC(CC1C2CCC(C2)C1(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H14F8/c1-9(11(15,16)17,12(18,19)20)5-8-6-2-3-7(4-6)10(8,13)14/h6-8H,2-5H2,1H3
InChIKeyGQTKDJUZMVQLIX-UHFFFAOYSA-N
MW310.23 g/mol
LogP5.19
Rot. Bonds2

About 2,2-difluoro-3-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane

2,2-difluoro-3-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane (PubChem CID 20770026) has the molecular formula C12H14F8 and a molecular weight of 310.23 g/mol. Its IUPAC name is 2,2-difluoro-3-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2,2-difluoro-3-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane
PubChem CID20770026
Molecular FormulaC12H14F8
Molecular Weight310.23 g/mol
Exact Mass310.10
IUPAC Name2,2-difluoro-3-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane
SMILESCC(CC1C2CCC(C2)C1(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H14F8/c1-9(11(15,16)17,12(18,19)20)5-8-6-2-3-7(4-6)10(8,13)14/h6-8H,2-5H2,1H3
InChIKeyGQTKDJUZMVQLIX-UHFFFAOYSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.23
LogP ≤ 55.19
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-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane?
The IUPAC name of 2,2-difluoro-3-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane (CID 20770026) is 2,2-difluoro-3-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane.
What is the SMILES notation for 2,2-difluoro-3-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane?
The canonical SMILES for 2,2-difluoro-3-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane is CC(CC1C2CCC(C2)C1(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,2-difluoro-3-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane?
The InChIKey is GQTKDJUZMVQLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F8/c1-9(11(15,16)17,12(18,19)20)5-8-6-2-3-7(4-6)10(8,13)14/h6-8H,2-5H2,1H3.
What are the key properties of 2,2-difluoro-3-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane?
2,2-difluoro-3-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane has a molecular weight of 310.23 g/mol, XLogP of 5.19, 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-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane is sourced from PubChem (CID 20770026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).