2-(1,1,2,2-tetrafluoroethyl)bicyclo[2.2.1]heptane

C9H12F4 — CID 22389788

IUPAC2-(1,1,2,2-tetrafluoroethyl)bicyclo[2.2.1]heptane
SMILESFC(F)C(F)(F)C1CC2CCC1C2
InChIInChI=1S/C9H12F4/c10-8(11)9(12,13)7-4-5-1-2-6(7)3-5/h5-8H,1-4H2
InChIKeyXLTVJWBRVKZIRX-UHFFFAOYSA-N
MW196.19 g/mol
LogP3.32
Rot. Bonds2

About 2-(1,1,2,2-tetrafluoroethyl)bicyclo[2.2.1]heptane

2-(1,1,2,2-tetrafluoroethyl)bicyclo[2.2.1]heptane (PubChem CID 22389788) has the molecular formula C9H12F4 and a molecular weight of 196.19 g/mol. Its IUPAC name is 2-(1,1,2,2-tetrafluoroethyl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(1,1,2,2-tetrafluoroethyl)bicyclo[2.2.1]heptane
PubChem CID22389788
Molecular FormulaC9H12F4
Molecular Weight196.19 g/mol
Exact Mass196.09
IUPAC Name2-(1,1,2,2-tetrafluoroethyl)bicyclo[2.2.1]heptane
SMILESFC(F)C(F)(F)C1CC2CCC1C2
InChIInChI=1S/C9H12F4/c10-8(11)9(12,13)7-4-5-1-2-6(7)3-5/h5-8H,1-4H2
InChIKeyXLTVJWBRVKZIRX-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.19
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2-tetrafluoroethyl)bicyclo[2.2.1]heptane?
The IUPAC name of 2-(1,1,2,2-tetrafluoroethyl)bicyclo[2.2.1]heptane (CID 22389788) is 2-(1,1,2,2-tetrafluoroethyl)bicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(1,1,2,2-tetrafluoroethyl)bicyclo[2.2.1]heptane?
The canonical SMILES for 2-(1,1,2,2-tetrafluoroethyl)bicyclo[2.2.1]heptane is FC(F)C(F)(F)C1CC2CCC1C2.
What is the InChIKey of 2-(1,1,2,2-tetrafluoroethyl)bicyclo[2.2.1]heptane?
The InChIKey is XLTVJWBRVKZIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F4/c10-8(11)9(12,13)7-4-5-1-2-6(7)3-5/h5-8H,1-4H2.
What are the key properties of 2-(1,1,2,2-tetrafluoroethyl)bicyclo[2.2.1]heptane?
2-(1,1,2,2-tetrafluoroethyl)bicyclo[2.2.1]heptane has a molecular weight of 196.19 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2-tetrafluoroethyl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 22389788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).