5-(trifluoromethyl)cyclohex-3-en-1-ol

C7H9F3O — CID 89165330

IUPAC5-(trifluoromethyl)cyclohex-3-en-1-ol
SMILESOC1CC=CC(C(F)(F)F)C1
InChIInChI=1S/C7H9F3O/c8-7(9,10)5-2-1-3-6(11)4-5/h1-2,5-6,11H,3-4H2
InChIKeyKJAJSTGFSJFOIT-UHFFFAOYSA-N
MW166.14 g/mol
LogP1.88
Rot. Bonds

About 5-(trifluoromethyl)cyclohex-3-en-1-ol

5-(trifluoromethyl)cyclohex-3-en-1-ol (PubChem CID 89165330) has the molecular formula C7H9F3O and a molecular weight of 166.14 g/mol. Its IUPAC name is 5-(trifluoromethyl)cyclohex-3-en-1-ol.

Molecular Properties

Compound Name5-(trifluoromethyl)cyclohex-3-en-1-ol
PubChem CID89165330
Molecular FormulaC7H9F3O
Molecular Weight166.14 g/mol
Exact Mass166.06
IUPAC Name5-(trifluoromethyl)cyclohex-3-en-1-ol
SMILESOC1CC=CC(C(F)(F)F)C1
InChIInChI=1S/C7H9F3O/c8-7(9,10)5-2-1-3-6(11)4-5/h1-2,5-6,11H,3-4H2
InChIKeyKJAJSTGFSJFOIT-UHFFFAOYSA-N
XLogP1.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
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 5-(trifluoromethyl)cyclohex-3-en-1-ol?
The IUPAC name of 5-(trifluoromethyl)cyclohex-3-en-1-ol (CID 89165330) is 5-(trifluoromethyl)cyclohex-3-en-1-ol.
What is the SMILES notation for 5-(trifluoromethyl)cyclohex-3-en-1-ol?
The canonical SMILES for 5-(trifluoromethyl)cyclohex-3-en-1-ol is OC1CC=CC(C(F)(F)F)C1.
What is the InChIKey of 5-(trifluoromethyl)cyclohex-3-en-1-ol?
The InChIKey is KJAJSTGFSJFOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3O/c8-7(9,10)5-2-1-3-6(11)4-5/h1-2,5-6,11H,3-4H2.
What are the key properties of 5-(trifluoromethyl)cyclohex-3-en-1-ol?
5-(trifluoromethyl)cyclohex-3-en-1-ol has a molecular weight of 166.14 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 5-(trifluoromethyl)cyclohex-3-en-1-ol is sourced from PubChem (CID 89165330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).