1-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene

C8H9F3 — CID 68637001

IUPAC1-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
SMILESFC(F)(F)C12C=CC(CC1)C2
InChIInChI=1S/C8H9F3/c9-8(10,11)7-3-1-6(5-7)2-4-7/h1,3,6H,2,4-5H2
InChIKeySVGSVXCVSCNPMN-UHFFFAOYSA-N
MW162.15 g/mol
LogP2.90
Rot. Bonds

About 1-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene

1-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 68637001) has the molecular formula C8H9F3 and a molecular weight of 162.15 g/mol. Its IUPAC name is 1-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name1-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
PubChem CID68637001
Molecular FormulaC8H9F3
Molecular Weight162.15 g/mol
Exact Mass162.07
IUPAC Name1-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
SMILESFC(F)(F)C12C=CC(CC1)C2
InChIInChI=1S/C8H9F3/c9-8(10,11)7-3-1-6(5-7)2-4-7/h1,3,6H,2,4-5H2
InChIKeySVGSVXCVSCNPMN-UHFFFAOYSA-N
XLogP2.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 52.90
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 1-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 1-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene (CID 68637001) is 1-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 1-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 1-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene is FC(F)(F)C12C=CC(CC1)C2.
What is the InChIKey of 1-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is SVGSVXCVSCNPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3/c9-8(10,11)7-3-1-6(5-7)2-4-7/h1,3,6H,2,4-5H2.
What are the key properties of 1-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene?
1-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 162.15 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 68637001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).