1-(bromomethyl)-3-(trifluoromethyl)cyclobutane

C6H8BrF3 — CID 138040589

IUPAC1-(bromomethyl)-3-(trifluoromethyl)cyclobutane
SMILESFC(F)(F)C1CC(CBr)C1
InChIInChI=1S/C6H8BrF3/c7-3-4-1-5(2-4)6(8,9)10/h4-5H,1-3H2
InChIKeyPRQKIYIEBQBBIA-UHFFFAOYSA-N
MW217.03 g/mol
LogP2.97
Rot. Bonds1

About 1-(bromomethyl)-3-(trifluoromethyl)cyclobutane

1-(bromomethyl)-3-(trifluoromethyl)cyclobutane (PubChem CID 138040589) has the molecular formula C6H8BrF3 and a molecular weight of 217.03 g/mol. Its IUPAC name is 1-(bromomethyl)-3-(trifluoromethyl)cyclobutane.

Molecular Properties

Compound Name1-(bromomethyl)-3-(trifluoromethyl)cyclobutane
PubChem CID138040589
Molecular FormulaC6H8BrF3
Molecular Weight217.03 g/mol
Exact Mass215.98
IUPAC Name1-(bromomethyl)-3-(trifluoromethyl)cyclobutane
SMILESFC(F)(F)C1CC(CBr)C1
InChIInChI=1S/C6H8BrF3/c7-3-4-1-5(2-4)6(8,9)10/h4-5H,1-3H2
InChIKeyPRQKIYIEBQBBIA-UHFFFAOYSA-N
XLogP2.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.03
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-3-(trifluoromethyl)cyclobutane?
The IUPAC name of 1-(bromomethyl)-3-(trifluoromethyl)cyclobutane (CID 138040589) is 1-(bromomethyl)-3-(trifluoromethyl)cyclobutane.
What is the SMILES notation for 1-(bromomethyl)-3-(trifluoromethyl)cyclobutane?
The canonical SMILES for 1-(bromomethyl)-3-(trifluoromethyl)cyclobutane is FC(F)(F)C1CC(CBr)C1.
What is the InChIKey of 1-(bromomethyl)-3-(trifluoromethyl)cyclobutane?
The InChIKey is PRQKIYIEBQBBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrF3/c7-3-4-1-5(2-4)6(8,9)10/h4-5H,1-3H2.
What are the key properties of 1-(bromomethyl)-3-(trifluoromethyl)cyclobutane?
1-(bromomethyl)-3-(trifluoromethyl)cyclobutane has a molecular weight of 217.03 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-3-(trifluoromethyl)cyclobutane is sourced from PubChem (CID 138040589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).