3-bromo-1,1,2-trifluoro-2-(trifluoromethyl)cyclobutane

C5H3BrF6 — CID 88848383

IUPAC3-bromo-1,1,2-trifluoro-2-(trifluoromethyl)cyclobutane
SMILESFC(F)(F)C1(F)C(Br)CC1(F)F
InChIInChI=1S/C5H3BrF6/c6-2-1-3(7,8)4(2,9)5(10,11)12/h2H,1H2
InChIKeyZBAHAKYKROHBFD-UHFFFAOYSA-N
MW256.97 g/mol
LogP3.06
Rot. Bonds

About 3-bromo-1,1,2-trifluoro-2-(trifluoromethyl)cyclobutane

3-bromo-1,1,2-trifluoro-2-(trifluoromethyl)cyclobutane (PubChem CID 88848383) has the molecular formula C5H3BrF6 and a molecular weight of 256.97 g/mol. Its IUPAC name is 3-bromo-1,1,2-trifluoro-2-(trifluoromethyl)cyclobutane.

Molecular Properties

Compound Name3-bromo-1,1,2-trifluoro-2-(trifluoromethyl)cyclobutane
PubChem CID88848383
Molecular FormulaC5H3BrF6
Molecular Weight256.97 g/mol
Exact Mass255.93
IUPAC Name3-bromo-1,1,2-trifluoro-2-(trifluoromethyl)cyclobutane
SMILESFC(F)(F)C1(F)C(Br)CC1(F)F
InChIInChI=1S/C5H3BrF6/c6-2-1-3(7,8)4(2,9)5(10,11)12/h2H,1H2
InChIKeyZBAHAKYKROHBFD-UHFFFAOYSA-N
XLogP3.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.97
LogP ≤ 53.06
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 3-bromo-1,1,2-trifluoro-2-(trifluoromethyl)cyclobutane?
The IUPAC name of 3-bromo-1,1,2-trifluoro-2-(trifluoromethyl)cyclobutane (CID 88848383) is 3-bromo-1,1,2-trifluoro-2-(trifluoromethyl)cyclobutane.
What is the SMILES notation for 3-bromo-1,1,2-trifluoro-2-(trifluoromethyl)cyclobutane?
The canonical SMILES for 3-bromo-1,1,2-trifluoro-2-(trifluoromethyl)cyclobutane is FC(F)(F)C1(F)C(Br)CC1(F)F.
What is the InChIKey of 3-bromo-1,1,2-trifluoro-2-(trifluoromethyl)cyclobutane?
The InChIKey is ZBAHAKYKROHBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrF6/c6-2-1-3(7,8)4(2,9)5(10,11)12/h2H,1H2.
What are the key properties of 3-bromo-1,1,2-trifluoro-2-(trifluoromethyl)cyclobutane?
3-bromo-1,1,2-trifluoro-2-(trifluoromethyl)cyclobutane has a molecular weight of 256.97 g/mol, XLogP of 3.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1,1,2-trifluoro-2-(trifluoromethyl)cyclobutane is sourced from PubChem (CID 88848383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).