7-(trifluoromethyl)bicyclo[4.2.0]oct-3-en-7-ol

C9H11F3O — CID 89159877

IUPAC7-(trifluoromethyl)bicyclo[4.2.0]oct-3-en-7-ol
SMILESOC1(C(F)(F)F)CC2CC=CCC21
InChIInChI=1S/C9H11F3O/c10-9(11,12)8(13)5-6-3-1-2-4-7(6)8/h1-2,6-7,13H,3-5H2
InChIKeyOBHQEIDTELRAEA-UHFFFAOYSA-N
MW192.18 g/mol
LogP2.27
Rot. Bonds

About 7-(trifluoromethyl)bicyclo[4.2.0]oct-3-en-7-ol

7-(trifluoromethyl)bicyclo[4.2.0]oct-3-en-7-ol (PubChem CID 89159877) has the molecular formula C9H11F3O and a molecular weight of 192.18 g/mol. Its IUPAC name is 7-(trifluoromethyl)bicyclo[4.2.0]oct-3-en-7-ol.

Molecular Properties

Compound Name7-(trifluoromethyl)bicyclo[4.2.0]oct-3-en-7-ol
PubChem CID89159877
Molecular FormulaC9H11F3O
Molecular Weight192.18 g/mol
Exact Mass192.08
IUPAC Name7-(trifluoromethyl)bicyclo[4.2.0]oct-3-en-7-ol
SMILESOC1(C(F)(F)F)CC2CC=CCC21
InChIInChI=1S/C9H11F3O/c10-9(11,12)8(13)5-6-3-1-2-4-7(6)8/h1-2,6-7,13H,3-5H2
InChIKeyOBHQEIDTELRAEA-UHFFFAOYSA-N
XLogP2.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 52.27
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 7-(trifluoromethyl)bicyclo[4.2.0]oct-3-en-7-ol?
The IUPAC name of 7-(trifluoromethyl)bicyclo[4.2.0]oct-3-en-7-ol (CID 89159877) is 7-(trifluoromethyl)bicyclo[4.2.0]oct-3-en-7-ol.
What is the SMILES notation for 7-(trifluoromethyl)bicyclo[4.2.0]oct-3-en-7-ol?
The canonical SMILES for 7-(trifluoromethyl)bicyclo[4.2.0]oct-3-en-7-ol is OC1(C(F)(F)F)CC2CC=CCC21.
What is the InChIKey of 7-(trifluoromethyl)bicyclo[4.2.0]oct-3-en-7-ol?
The InChIKey is OBHQEIDTELRAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3O/c10-9(11,12)8(13)5-6-3-1-2-4-7(6)8/h1-2,6-7,13H,3-5H2.
What are the key properties of 7-(trifluoromethyl)bicyclo[4.2.0]oct-3-en-7-ol?
7-(trifluoromethyl)bicyclo[4.2.0]oct-3-en-7-ol has a molecular weight of 192.18 g/mol, XLogP of 2.27, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)bicyclo[4.2.0]oct-3-en-7-ol is sourced from PubChem (CID 89159877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).