2-(2,2,2-trifluoroethylidene)bicyclo[2.2.1]heptane

C9H11F3 — CID 175890138

IUPAC2-(2,2,2-trifluoroethylidene)bicyclo[2.2.1]heptane
SMILESFC(F)(F)C=C1CC2CCC1C2
InChIInChI=1S/C9H11F3/c10-9(11,12)5-8-4-6-1-2-7(8)3-6/h5-7H,1-4H2
InChIKeyRJFMIGSXSGPDAA-UHFFFAOYSA-N
MW176.18 g/mol
LogP3.30
Rot. Bonds

About 2-(2,2,2-trifluoroethylidene)bicyclo[2.2.1]heptane

2-(2,2,2-trifluoroethylidene)bicyclo[2.2.1]heptane (PubChem CID 175890138) has the molecular formula C9H11F3 and a molecular weight of 176.18 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylidene)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylidene)bicyclo[2.2.1]heptane
PubChem CID175890138
Molecular FormulaC9H11F3
Molecular Weight176.18 g/mol
Exact Mass176.08
IUPAC Name2-(2,2,2-trifluoroethylidene)bicyclo[2.2.1]heptane
SMILESFC(F)(F)C=C1CC2CCC1C2
InChIInChI=1S/C9H11F3/c10-9(11,12)5-8-4-6-1-2-7(8)3-6/h5-7H,1-4H2
InChIKeyRJFMIGSXSGPDAA-UHFFFAOYSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethylidene)bicyclo[2.2.1]heptane?
The IUPAC name of 2-(2,2,2-trifluoroethylidene)bicyclo[2.2.1]heptane (CID 175890138) is 2-(2,2,2-trifluoroethylidene)bicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(2,2,2-trifluoroethylidene)bicyclo[2.2.1]heptane?
The canonical SMILES for 2-(2,2,2-trifluoroethylidene)bicyclo[2.2.1]heptane is FC(F)(F)C=C1CC2CCC1C2.
What is the InChIKey of 2-(2,2,2-trifluoroethylidene)bicyclo[2.2.1]heptane?
The InChIKey is RJFMIGSXSGPDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3/c10-9(11,12)5-8-4-6-1-2-7(8)3-6/h5-7H,1-4H2.
What are the key properties of 2-(2,2,2-trifluoroethylidene)bicyclo[2.2.1]heptane?
2-(2,2,2-trifluoroethylidene)bicyclo[2.2.1]heptane has a molecular weight of 176.18 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylidene)bicyclo[2.2.1]heptane is sourced from PubChem (CID 175890138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).