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

C8H9F3 — CID 13070154

IUPAC5-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
SMILESFC(F)(F)C1CC2C=CC1C2
InChIInChI=1S/C8H9F3/c9-8(10,11)7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2
InChIKeyPBNBTJLQHASCPE-UHFFFAOYSA-N
MW162.15 g/mol
LogP2.76
Rot. Bonds

About 5-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene

5-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 13070154) has the molecular formula C8H9F3 and a molecular weight of 162.15 g/mol. Its IUPAC name is 5-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
PubChem CID13070154
Molecular FormulaC8H9F3
Molecular Weight162.15 g/mol
Exact Mass162.07
IUPAC Name5-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
SMILESFC(F)(F)C1CC2C=CC1C2
InChIInChI=1S/C8H9F3/c9-8(10,11)7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2
InChIKeyPBNBTJLQHASCPE-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
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 5-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene (CID 13070154) is 5-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene is FC(F)(F)C1CC2C=CC1C2.
What is the InChIKey of 5-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is PBNBTJLQHASCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3/c9-8(10,11)7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2.
What are the key properties of 5-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene?
5-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 162.15 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 13070154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).