2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol

C8H9F3O — CID 14871185

IUPAC2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol
SMILESOC1(C(F)(F)F)CC2C=CC1C2
InChIInChI=1S/C8H9F3O/c9-8(10,11)7(12)4-5-1-2-6(7)3-5/h1-2,5-6,12H,3-4H2
InChIKeyGQJOYSGQPRLCMY-UHFFFAOYSA-N
MW178.15 g/mol
LogP1.88
Rot. Bonds

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

2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol (PubChem CID 14871185) has the molecular formula C8H9F3O and a molecular weight of 178.15 g/mol. Its IUPAC name is 2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol.

Molecular Properties

Compound Name2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol
PubChem CID14871185
Molecular FormulaC8H9F3O
Molecular Weight178.15 g/mol
Exact Mass178.06
IUPAC Name2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol
SMILESOC1(C(F)(F)F)CC2C=CC1C2
InChIInChI=1S/C8H9F3O/c9-8(10,11)7(12)4-5-1-2-6(7)3-5/h1-2,5-6,12H,3-4H2
InChIKeyGQJOYSGQPRLCMY-UHFFFAOYSA-N
XLogP1.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol?
The IUPAC name of 2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol (CID 14871185) is 2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol.
What is the SMILES notation for 2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol?
The canonical SMILES for 2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol is OC1(C(F)(F)F)CC2C=CC1C2.
What is the InChIKey of 2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol?
The InChIKey is GQJOYSGQPRLCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3O/c9-8(10,11)7(12)4-5-1-2-6(7)3-5/h1-2,5-6,12H,3-4H2.
What are the key properties of 2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol?
2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol has a molecular weight of 178.15 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol is sourced from PubChem (CID 14871185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).