3-bromo-1-(trifluoromethyl)cyclopentan-1-ol

C6H8BrF3O — CID 84736355

IUPAC3-bromo-1-(trifluoromethyl)cyclopentan-1-ol
SMILESOC1(C(F)(F)F)CCC(Br)C1
InChIInChI=1S/C6H8BrF3O/c7-4-1-2-5(11,3-4)6(8,9)10/h4,11H,1-3H2
InChIKeyQAOZSBBILKSJMU-UHFFFAOYSA-N
MW233.03 g/mol
LogP2.23
Rot. Bonds

About 3-bromo-1-(trifluoromethyl)cyclopentan-1-ol

3-bromo-1-(trifluoromethyl)cyclopentan-1-ol (PubChem CID 84736355) has the molecular formula C6H8BrF3O and a molecular weight of 233.03 g/mol. Its IUPAC name is 3-bromo-1-(trifluoromethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name3-bromo-1-(trifluoromethyl)cyclopentan-1-ol
PubChem CID84736355
Molecular FormulaC6H8BrF3O
Molecular Weight233.03 g/mol
Exact Mass231.97
IUPAC Name3-bromo-1-(trifluoromethyl)cyclopentan-1-ol
SMILESOC1(C(F)(F)F)CCC(Br)C1
InChIInChI=1S/C6H8BrF3O/c7-4-1-2-5(11,3-4)6(8,9)10/h4,11H,1-3H2
InChIKeyQAOZSBBILKSJMU-UHFFFAOYSA-N
XLogP2.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.03
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-bromo-1-(trifluoromethyl)cyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(trifluoromethyl)cyclopentan-1-ol?
The IUPAC name of 3-bromo-1-(trifluoromethyl)cyclopentan-1-ol (CID 84736355) is 3-bromo-1-(trifluoromethyl)cyclopentan-1-ol.
What is the SMILES notation for 3-bromo-1-(trifluoromethyl)cyclopentan-1-ol?
The canonical SMILES for 3-bromo-1-(trifluoromethyl)cyclopentan-1-ol is OC1(C(F)(F)F)CCC(Br)C1.
What is the InChIKey of 3-bromo-1-(trifluoromethyl)cyclopentan-1-ol?
The InChIKey is QAOZSBBILKSJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrF3O/c7-4-1-2-5(11,3-4)6(8,9)10/h4,11H,1-3H2.
What are the key properties of 3-bromo-1-(trifluoromethyl)cyclopentan-1-ol?
3-bromo-1-(trifluoromethyl)cyclopentan-1-ol has a molecular weight of 233.03 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(trifluoromethyl)cyclopentan-1-ol is sourced from PubChem (CID 84736355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).